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5-chloranyl-7-(diphenylmethylidene)bicyclo[2.2.1]hept-2-ene-5-carbonitrile
SpectraBase Compound ID 14MXnhCDyt3
InChI InChI=1S/C21H16ClN/c22-21(14-23)13-17-11-12-18(21)20(17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17-18H,13H2/t17-,18-,21+/m1/s1
InChIKey RJDYGWQBIKVBQY-OPYAIIAOSA-N
Mol Weight 317.82 g/mol
Molecular Formula C21H16ClN
Exact Mass 317.097127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID TRYTDCbT9V
Name 5-chloranyl-7-(diphenylmethylidene)bicyclo[2.2.1]hept-2-ene-5-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C21H16ClN
InChI InChI=1S/C21H16ClN/c22-21(14-23)13-17-11-12-18(21)20(17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-12,17-18H,13H2/t17-,18-,21+/m1/s1
InChIKey RJDYGWQBIKVBQY-OPYAIIAOSA-N
Molecular Weight 317.819 g/mol
SMILES C1([C@@]2([C@](C#N)(Cl)C[C@]1(C=C2)[H])[H])=C(c1ccccc1)c1ccccc1
SPLASH splash10-001i-0090000000-f3fd5dba8abdf2579e39
Source of Spectrum I-62-1763-0
Synonyms 5-chloro-7-(diphenylmethylene)-5-bicyclo[2.2.1]hept-2-enecarbonitrile 7-benzhydrylidene-5-chloro-bicyclo[2.2.1]hept-2-ene-5-carbonitrile
Wiley ID 1317858