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2-(8-methyl-6-naphtho[1,2-b][1]benzothiolyl)acetonitrile
SpectraBase Compound ID HPpvAWQMIoq
InChI InChI=1S/C19H13NS/c1-12-6-7-17-16(10-12)18-14(8-9-20)11-13-4-2-3-5-15(13)19(18)21-17/h2-7,10-11H,8H2,1H3
InChIKey JINHUDPZRNQNEZ-UHFFFAOYSA-N
Mol Weight 287.38 g/mol
Molecular Formula C19H13NS
Exact Mass 287.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9IqeNrpDx2i
Name 2-(8-methyl-6-naphtho[1,2-b][1]benzothiolyl)acetonitrile
CAS Registry Number 89817-21-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13NS
InChI InChI=1S/C19H13NS/c1-12-6-7-17-16(10-12)18-14(8-9-20)11-13-4-2-3-5-15(13)19(18)21-17/h2-7,10-11H,8H2,1H3
InChIKey JINHUDPZRNQNEZ-UHFFFAOYSA-N
Molecular Weight 287.380 g/mol
SMILES c12sc3ccc(cc3c2c(CC#N)cc2c1cccc2)C
SPLASH splash10-000i-0090000000-59668e493af18adbeae5
Source of Spectrum Y-20-1456-0
Synonyms 2-(8-methylnaphtho[1,2-b]benzothiophen-6-yl)acetonitrile 2-(8-methylnaphtho[1,2-b][1]benzothiol-6-yl)acetonitrile 2-(8-methylnaphtho[1,2-b][1]benzothiol-6-yl)ethanenitrile
Wiley ID 1291014