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2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
SpectraBase Compound ID 9CZRPjhqigz
InChI InChI=1S/C9H10N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2
InChIKey ADHVMGAFAKSNOM-UHFFFAOYSA-N
Mol Weight 178.25 g/mol
Molecular Formula C9H10N2S
Exact Mass 178.05647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLjS1z2MPsW
Name 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
CAS Registry Number 4651-91-6
Comments Less than 3 mono-isotopic peaks
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Formula C9H10N2S
InChI InChI=1S/C9H10N2S/c10-5-7-6-3-1-2-4-8(6)12-9(7)11/h1-4,11H2
InChIKey ADHVMGAFAKSNOM-UHFFFAOYSA-N
Molecular Weight 178.253 g/mol
SMILES Nc1c(c2c(CCCC2)s1)C#N
SPLASH splash10-0ufr-0900000000-e5add4e6e62855f90702
Source of Spectrum J-62-7125-1
Synonyms 2-amino-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile 2-azanyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Benzo[b]thiophene-3-carbonitrile, 2-amino-4,5,6,7-tetrahydro- EINECS 225-085-3
Wiley ID 1640088