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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 5qluvTOj0vp
Name 2-Amino-3-cyano-4,5-pentamethylene thiophene
CAS Registry Number 23917-22-8
Comments Less than 3 mono-isotopic peaks
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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
Molecular Weight 192.280 g/mol
SMILES Nc1c(c2c(CCCCC2)s1)C#N
SPLASH splash10-0006-0900000000-bf35642c0c322696c528
Source of Spectrum J-62-7126-1
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 1640084