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Benzo[b]thiophene-3-acetonitrile
SpectraBase Compound ID 8OJtBgeI3oL
InChI InChI=1S/C10H7NS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2
InChIKey DEELHLMCCWZFFE-UHFFFAOYSA-N
Mol Weight 173.23 g/mol
Molecular Formula C10H7NS
Exact Mass 173.02992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IY9XrP0WcN9
Name 1-Benzothien-3-ylacetonitrile
CAS Registry Number 3216-48-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7NS
InChI InChI=1S/C10H7NS/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7H,5H2
InChIKey DEELHLMCCWZFFE-UHFFFAOYSA-N
Molecular Weight 173.233 g/mol
SMILES c1sc2c(c1CC#N)cccc2
SPLASH splash10-00di-8900000000-0df3a39cdc7c416c867b
Source of Spectrum AD-0-2532-0
Synonyms Benzo[b]thiophene-3-acetonitrile (Benzo[b]thiophen-3-yl)acetonitrile Benzo(b)thiophene-3-acetonitrile 2-(benzothiophen-3-yl)acetonitrile Thianaphthene-3-acetonirile Benzo[b]thiophen-3-yl-acetonitrile 2-(Benzo[b]thiophen-3-yl)acetonitrile 2-(1-benzothiophen-3-yl)acetonitrile Acetonitrile, 2-(3-benzothieny)- 3-Cyanomethylbenzothiophene 2-(1-benzothiophen-3-yl)ethanenitrile (1-benzothien-3-yl)acetonitrile 3-(Cyanomethyl)-1-benzothiophene 2-Benzo[b]thiophen-3-ylacetonitrile 2-Benzo[b]thiophen-3-ylethanenitrile
Wiley ID 1426987