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2-(2-cyanoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SpectraBase Compound ID hqECZv83Zt
InChI InChI=1S/C13H15N3O2S/c14-7-6-10(17)16-13-11(12(15)18)8-4-2-1-3-5-9(8)19-13/h1-6H2,(H2,15,18)(H,16,17)
InChIKey HODQHJOLXIMBEG-UHFFFAOYSA-N
Mol Weight 277.34 g/mol
Molecular Formula C13H15N3O2S
Exact Mass 277.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKGWZZGO8hq
Name 2-(2-cyanoacetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Appearance White powder
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Formula C13H15N3O2S
InChI InChI=1S/C13H15N3O2S/c14-7-6-10(17)16-13-11(12(15)18)8-4-2-1-3-5-9(8)19-13/h1-6H2,(H2,15,18)(H,16,17)
InChIKey HODQHJOLXIMBEG-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4085
Molecular Weight 277.342 g/mol
SMILES NC(c1c2CCCCCc2sc1NC(CC#N)=O)=O
SPLASH splash10-00dj-0980000000-520e4b79b658a68152af
Source of Spectrum Y-57-3668-5
Wiley ID 1859859