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3-(1H-1,2,3,4-tetrazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SpectraBase Compound ID FY4L706uP3N
InChI InChI=1S/C9H11N5S/c10-8-7(9-11-13-14-12-9)5-3-1-2-4-6(5)15-8/h1-4,10H2,(H,11,12,13,14)
InChIKey ILWBZFQYVYUOSR-UHFFFAOYSA-N
Mol Weight 221.28 g/mol
Molecular Formula C9H11N5S
Exact Mass 221.073517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQVzpBT7ca7
Name 3-(1H-1,2,3,4-tetrazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
Alternate Name(s) 3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine 3-(2H-tetrazol-5-yl)-4,5,6,7-tetrahydrobenzothiophen-2-amine 3-(2H-1,2,3,4-tetrazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
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Formula C9H11N5S
InChI InChI=1S/C9H11N5S/c10-8-7(9-11-13-14-12-9)5-3-1-2-4-6(5)15-8/h1-4,10H2,(H,11,12,13,14)
InChIKey ILWBZFQYVYUOSR-UHFFFAOYSA-N
Molecular Weight 221.282 g/mol
SMILES Nc1c(-c2nnn[nH]2)c2CCCCc2s1
SPLASH splash10-0i6r-8910000000-3e9290380d85e9ec7969
Source of Spectrum IY-2-5188-8
Wiley ID 1659871