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2-Amino-3-cyano-4,5-pentamethylene thiophene
SpectraBase Compound ID CD0HTFShCmg
InChI InChI=1S/C10H12N2S/c11-6-8-7-4-2-1-3-5-9(7)13-10(8)12/h1-5,12H2
InChIKey GBQACFCEZPKMTA-UHFFFAOYSA-N
Mol Weight 192.28 g/mol
Molecular Formula C10H12N2S
Exact Mass 192.07212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lxhqenTAjg
Name 2-Amino-3-cyano-4,5-pentamethylene thiophene
CAS Registry Number 23917-22-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N2S
InChI InChI=1S/C10H12N2S/c11-6-8-7-4-2-1-3-5-9(7)13-10(8)12/h1-5,12H2
InChIKey GBQACFCEZPKMTA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800503
Molecular Weight 192.280 g/mol
SMILES Nc1c(c2c(s1)CCCCC2)C#N
SPLASH splash10-0006-5900000000-2573f1e27c60e7fe5914
Source of Spectrum ASC-350-2740/SM4-2i
Synonyms 2-Amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile 2-Azanyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Wiley ID 1765921