Anthracene(120-12-7) IR2
Product NameAnthracene
CAS120-12-7
Molecular FormulaC14H10
Molecular Weight178.23
InChIInChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
InChIKey MWPLVEDNUUSJAV-UHFFFAOYSA-N
SmilesC1=C2C(C=C3C(=C2)C=CC=C3)=CC=C1
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MassMS-NW-0132 anthracene C14H10 (Mass of molecular ion: 178)
Source Temperature: 140 °C Sample Temperature: 0 °C Direct, 75 eV
39.0 1.1 50.0 1.3 51.0 1.3 62.0 1.3 63.0 2.9 74.0 2.2 75.0 3.0 76.0 6.2 86.0 1.0 87.0 1.7 88.0 4.4 89.0 7.6 89.5 1.0 98.0 1.2 126.0 1.5 139.0 2.1 150.0 4.2 151.0 6.3 152.0 6.9 166.0 1.2 167.0 7.5 168.0 1.0 174.0 1.3 175.0 2.0 176.0 14.1 177.0 8.0 178.0 100.0 179.0 15.7 180.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C14 H10 saturated in CDCl3 anthracene 
Assign. Shift(ppm)
A 8.397 B 7.980 C 7.440
Hz ppm Int.752.19 8.399 818 722.25 8.065 113 720.00 8.040 469 716.75 8.004 450 713.50 7.967 474 710.31 7.932 624 707.56 7.901 159 674.13 7.528 160 673.75 7.523 162 670.88 7.491 1000 667.81 7.457 535 664.31 7.418 613 661.06 7.382 731 658.75 7.356 144
in CDCl3
KBr disc
nujol mull
ANION RADICAL, RED. WITH NA IN THF AND (C4H9)4NCLO4
ANION RADICAL, REDUCTION WITH NA IN THF
