EXO-NORBORNEOL(497-37-0) IR1
Product NameEXO-NORBORNEOL
CAS497-37-0
Molecular FormulaC7H12O
Molecular Weight112.17
InChIInChI=1/C7H12O/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2/t5-,6+,7+/s3
InChIKey ZQTYQMYDIHMKQB-QXWMLGDLNA-N
Smiles[C@]12([H])C[C@]([H])(CC1)C[C@H]2O |&1:0,3,8,r|
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MassMS-NW-8749 exo-norboneol C7H12O (Mass of molecular ion: 112)
Source Temperature: 270 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 1.4 18.0 1.8 26.0 1.3 27.0 16.5 28.0 3.8 29.0 14.8 31.0 5.1 38.0 1.8 39.0 25.5 40.0 7.5 41.0 36.1 42.0 8.5 43.0 14.7 44.0 6.4 45.0 7.6 50.0 1.6 51.0 3.7 52.0 1.6 53.0 16.2 54.0 6.6 55.0 27.6 56.0 13.4 57.0 34.7 58.0 9.1 63.0 1.1 65.0 6.8 66.0 68.5 67.0 95.4 68.0 78.1 69.0 10.9 70.0 16.9 71.0 8.3 77.0 6.7 78.0 2.4 79.0 100.0 80.0 7.9 81.0 16.4 82.0 2.2 83.0 24.5 84.0 7.3 91.0 2.7 93.0 7.2 94.0 93.5 95.0 10.9 97.0 7.1 111.0 1.4 112.0 1.3
400 MHz in CDCl3
in CDCl3
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1H NMR 399.65 MHz C7 H12 O 0.060 g : 0.5 ml CDCl3 exo-norboneol 
Assign. Shift(ppm)
A 3.741 B 2.242 C 2.17 D 2.135 E 1.641 F 1.572 G 1.46 J 1.40 K 1.289 L 1.109 M *1 1.03 N *1 0.99 ASSIGNED BY C-H AND H-H COSY. J(A,E)=6.8HZ J(E,B)=2.4HZ J(E,K)=-13.1HZ J(F,L)=-9.8HZ
Hz ppm Int.1498.54 3.750 451 1491.70 3.733 446 899.66 2.252 361 896.24 2.243 569 895.75 2.242 572 880.37 2.203 65 879.88 2.202 66 878.42 2.198 64 868.04 2.173 1000 860.47 2.154 103 855.10 2.140 572 851.20 2.130 528 667.72 1.671 272 665.41 1.665 293 660.89 1.654 277 658.57 1.648 298 654.66 1.639 327 652.34 1.633 347 647.83 1.621 324 645.51 1.616 338 637.33 1.595 149 635.50 1.591 331 633.67 1.586 461 631.96 1.582 364 627.69 1.571 167 625.61 1.566 354 623.90 1.562 495 622.07 1.557 387 608.15 1.522 58 603.15 1.510 66 599.73 1.501 134 594.97 1.489 151 593.26 1.485 145 591.55 1.481 176 589.23 1.475 232 587.77 1.471 291 584.47 1.463 227 583.13 1.460 274 579.22 1.450 394 574.58 1.438 374 572.27 1.432 186 570.80 1.429 261 569.82 1.426 226 567.87 1.421 333 566.89 1.419 271 565.80 1.416 223 563.72 1.411 304 560.79 1.404 279 559.69 1.401 252 556.88 1.394 286 554.44 1.388 195 551.64 1.381 156 550.54 1.378 126 548.71 1.373 139 547.61 1.371 122 544.68 1.363 110 542.72 1.358 66 539.67 1.351 66 538.57 1.348 66 535.52 1.340 68 525.51 1.315 188 523.07 1.309 297 521.36 1.305 319 519.17 1.300 299 516.97 1.294 195 515.99 1.292 177 512.45 1.283 162 510.01 1.277 246 508.30 1.272 260 506.23 1.267 242 503.78 1.261 149 502.93 1.259 130 451.29 1.130 190 449.95 1.126 394 448.49 1.123 494 447.51 1.120 515 446.04 1.117 433 444.70 1.113 237 441.53 1.105 180 440.19 1.102 354 438.72 1.098 446 437.62 1.096 461 436.28 1.092 388 434.94 1.089 204 418.46 1.048 164 416.50 1.043 228 414.79 1.038 170 410.64 1.028 346 408.81 1.023 633 407.47 1.020 740 406.86 1.019 746 405.52 1.015 698 402.83 1.008 403 400.39 1.002 643 398.07 0.997 637 395.63 0.990 294 389.65 0.975 121 387.70 0.971 95
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in CDCl3
KBr disk
nujol mull
4880 A,200 M,powder
