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2-(2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SpectraBase Compound ID AOGbSfgaVbY
InChI InChI=1S/C20H25N3O2S2/c21-17(24)15-11-7-3-1-6-10-14(11)27-20(15)23-19(25)16-12-8-4-2-5-9-13(12)26-18(16)22/h1-10,22H2,(H2,21,24)(H,23,25)
InChIKey CTTYZWWMGGIBDP-UHFFFAOYSA-N
Mol Weight 403.56 g/mol
Molecular Formula C20H25N3O2S2
Exact Mass 403.138819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hg75JxVvEhj
Name 2-(2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Appearance Brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25N3O2S2
InChI InChI=1S/C20H25N3O2S2/c21-17(24)15-11-7-3-1-6-10-14(11)27-20(15)23-19(25)16-12-8-4-2-5-9-13(12)26-18(16)22/h1-10,22H2,(H2,21,24)(H,23,25)
InChIKey CTTYZWWMGGIBDP-UHFFFAOYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4085
Molecular Weight 403.559 g/mol
SMILES NC(c1c2CCCCCc2sc1NC(c1c(sc2c1CCCCC2)N)=O)=O
SPLASH splash10-0006-9000000000-175c2e0750705e1ef362
Source of Spectrum Y-57-3670-14
Wiley ID 1859853