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(E)-2-([5-amino-3-hydroxy-1H-pyrazol-4-yl]diazenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
SpectraBase Compound ID E7AKVqgLsVn
InChI InChI=1S/C13H16N6O2S/c14-10-9(12(21)18-17-10)16-19-13-8(11(15)20)6-4-2-1-3-5-7(6)22-13/h1-5H2,(H2,15,20)(H4,14,17,18,21)/b19-16+
InChIKey PCIYTTBMCYMFQZ-KNTRCKAVSA-N
Mol Weight 320.37 g/mol
Molecular Formula C13H16N6O2S
Exact Mass 320.105545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3mIqnNK7g8
Name (E)-2-([5-amino-3-hydroxy-1H-pyrazol-4-yl]diazenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Appearance Black powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N6O2S
InChI InChI=1S/C13H16N6O2S/c14-10-9(12(21)18-17-10)16-19-13-8(11(15)20)6-4-2-1-3-5-7(6)22-13/h1-5H2,(H2,15,20)(H4,14,17,18,21)/b19-16+
InChIKey PCIYTTBMCYMFQZ-KNTRCKAVSA-N
Instrument Name QP-1000 Ex
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4041
Molecular Weight 320.371 g/mol
SMILES NC(c1c2CCCCCc2sc1\N=N\c1c(n[nH]c1N)O)=O
SPLASH splash10-004i-9000000000-cefd20d23fb5136d2104
Source of Spectrum Y-57-3219-17
Wiley ID 1860329