Anthrone(90-44-8) MS
Molecular FormulaC14H10O
Molecular Weight194.23
InChIInChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8H,9H2
InChIKey RJGDLRCDCYRQOQ-UHFFFAOYSA-N
SmilesC1=C2C(CC3=C(C2=O)C=CC=C3)=CC=C1
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MassMS-NW-0296 anthrone C14H10O (Mass of molecular ion: 194)
Source Temperature: 140 °C Sample Temperature: 0 °C Direct, 75 eV
39.0 1.2 50.0 1.1 51.0 1.2 62.0 1.2 63.0 2.8 69.5 2.4 74.0 1.2 75.0 1.2 81.5 2.2 82.0 5.8 82.5 7.1 83.0 2.5 87.0 1.3 89.0 1.7 97.0 1.8 115.0 2.1 139.0 4.2 163.0 7.0 164.0 5.9 165.0 53.5 166.0 10.3 193.0 8.9 194.0 100.0 195.0 15.2 196.0 1.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C14 H10 O 0.027 g : 0.5 ml CDCl3 anthrone 
Assign. Shift(ppm)
A 8.352 B 7.576 C 7.45 D 7.45 E 4.324
Hz ppm Int.3342.65 8.364 575 3341.19 8.361 529 3334.35 8.344 613 3333.25 8.341 554 3036.74 7.599 296 3035.28 7.595 304 3033.33 7.590 54 3032.96 7.590 53 3029.42 7.581 703 3028.32 7.578 450 3027.47 7.576 430 3025.39 7.571 58 3024.29 7.568 55 3021.85 7.562 509 3020.39 7.558 485 2992.55 7.488 33 2991.46 7.486 37 2991.09 7.485 37 2984.01 7.467 399 2983.40 7.466 520 2982.79 7.464 328 2981.45 7.461 379 2980.59 7.459 685 2979.25 7.455 673 2978.27 7.453 422 2977.17 7.450 493 2976.44 7.448 663 2975.95 7.447 599 2974.00 7.442 251 2973.02 7.440 421 2972.53 7.438 443 2972.17 7.437 436 2971.31 7.435 392 2970.21 7.433 270 2969.36 7.430 332 2968.75 7.429 270 2968.02 7.427 226 1728.03 4.324 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
