2-Cyclopenten-1-one(930-30-3) MS
Product Name2-Cyclopenten-1-one
CAS930-30-3
Molecular FormulaC5H6O
Molecular Weight82.1
InChIInChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2
InChIKey BZKFMUIJRXWWQK-UHFFFAOYSA-N
SmilesC1(=O)CCC=C1
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MassMS-NW-1594 2-cyclopenten-1-one C5H6O (Mass of molecular ion: 82)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.0 18.0 1.5 25.0 1.6 26.0 15.4 27.0 26.0 28.0 26.0 29.0 1.0 31.0 1.2 37.0 3.2 38.0 4.8 39.0 66.7 40.0 3.2 41.0 2.3 42.0 3.3 49.0 2.3 50.0 7.6 51.0 7.7 52.0 4.6 53.0 34.5 54.0 36.6 55.0 17.2 56.0 7.4 81.0 13.5 82.0 100.0 83.0 5.7 84.0 2.1
parameter in CCl4
90 MHz in CDCl3
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1H NMR 300 MHz C5 H6 O in CCl4 2-cyclopenten-1-one 
Parameter ppm Hz
D(A) 7.63 D(B) 6.11 D(C) 2.64 D(D) 2.24 J(A,B) 5.8 J(A,C) 2.6 J(A,C') 2.6 J(A,D) 0.0 J(A,D') 0.0 J(B,C) 2.2 J(B,C') 2.2 J(B,D) 0.0 J(B,D') 0.0 J(C,C') -19.0 J(C,D) 7.3 J(C,D') 2.5 J(C',D) 2.5 J(C',D') 7.3 J(D,D') -19.5 DEPUY,C.H. ET AL. J.CHEM.ENG.DATA 11, 102 (1966)
Hz ppm Int.2294.50 7.648 243 2291.93 7.640 476 2289.25 7.631 320 2288.80 7.629 323 2286.18 7.621 488 2283.56 7.612 250 1838.09 6.127 253 1835.87 6.120 491 1833.70 6.112 274 1832.34 6.108 266 1830.12 6.100 479 1827.96 6.093 249 799.44 2.665 229 797.02 2.657 436 794.60 2.649 588 792.23 2.641 553 789.71 2.632 639 787.29 2.624 508 784.87 2.616 267 676.78 2.256 1000 674.21 2.247 402 671.84 2.239 805 669.72 2.232 378 667.00 2.223 848
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1H NMR 89.56 MHz C5 H6 O 0.04 ml : 0.5 ml CDCl3 2-cyclopenten-1-one Assign. Shift(ppm)
A 7.749 B 6.205 C 2.704 D 2.360 J(A,B)=5.7HZ J(A,C)=2.6HZ J(B,C)=2.2HZ
Hz ppm Int.699.56 7.812 384 696.94 7.782 762 694.25 7.752 447 693.88 7.748 463 691.25 7.719 782 688.63 7.690 413 560.69 6.261 430 558.50 6.237 863 556.38 6.213 428 555.00 6.197 415 552.81 6.173 817 550.75 6.150 408 250.63 2.799 141 250.13 2.793 155 248.00 2.770 370 247.44 2.763 194 245.81 2.745 415 243.13 2.715 440 240.88 2.690 427 240.44 2.685 424 239.25 2.672 315 238.38 2.662 483 236.63 2.643 268 235.81 2.633 267 216.19 2.414 954 215.25 2.404 1000 213.75 2.387 661 213.44 2.384 651 211.00 2.356 715 210.31 2.349 664 208.75 2.331 521 206.63 2.308 637 206.00 2.301 648 203.31 2.271 53
in CDCl3
CCl4 solution
liquid film
