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5-Methoxy-3-benzylbenz[e]indole-1-acetonitrile
SpectraBase Compound ID F43gSjMpwHn
InChI InChI=1S/C22H18N2O/c1-25-21-13-20-22(19-10-6-5-9-18(19)21)17(11-12-23)15-24(20)14-16-7-3-2-4-8-16/h2-10,13,15H,11,14H2,1H3
InChIKey VNSFIHMPPDBZCS-UHFFFAOYSA-N
Mol Weight 326.4 g/mol
Molecular Formula C22H18N2O
Exact Mass 326.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2MptcnaHAVi
Name 5-Methoxy-3-benzylbenz[e]indole-1-acetonitrile
Comments Edited after expert review for DOP contamination - Original record with SpectrumID 1325206 moved to the Legacy library
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Formula C22H18N2O
InChI InChI=1S/C22H18N2O/c1-25-21-13-20-22(19-10-6-5-9-18(19)21)17(11-12-23)15-24(20)14-16-7-3-2-4-8-16/h2-10,13,15H,11,14H2,1H3
InChIKey VNSFIHMPPDBZCS-UHFFFAOYSA-N
Molecular Weight 326.399 g/mol
SMILES c12[n](cc(c2c2ccccc2c(c1)OC)CC#N)Cc1ccccc1
SPLASH splash10-004l-7039000000-ba0e7ac156c81f066b90
Source of Spectrum J-56-2242-11
Synonyms (3-benzyl-5-methoxy-3H-benzo[e]indol-1-yl)acetonitrile
Wiley ID 1821496