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N-(3-Ethoxycarbonyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-2-(3-nitrophenyl hydrazono)-3-oxobutanamide
SpectraBase Compound ID LH6F6kAD9p8
InChI InChI=1S/C21H22N4O6S/c1-3-31-21(28)17-15-9-4-5-10-16(15)32-20(17)22-19(27)18(12(2)26)24-23-13-7-6-8-14(11-13)25(29)30/h6-8,11,23H,3-5,9-10H2,1-2H3,(H,22,27)
InChIKey GHQJLEBNPGKZPF-UHFFFAOYSA-N
Mol Weight 458.49 g/mol
Molecular Formula C21H22N4O6S
Exact Mass 458.126006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1yG9ZZTrewB
Name N-(3-Ethoxycarbonyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-2-(3-nitrophenyl hydrazono)-3-oxobutanamide
Appearance Dark yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N4O6S
InChI InChI=1S/C21H22N4O6S/c1-3-31-21(28)17-15-9-4-5-10-16(15)32-20(17)22-19(27)18(12(2)26)24-23-13-7-6-8-14(11-13)25(29)30/h6-8,11,23H,3-5,9-10H2,1-2H3,(H,22,27)
InChIKey GHQJLEBNPGKZPF-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX or HP GCMS 5988-A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.h28
Molecular Weight 458.489 g/mol
SMILES N(c1sc2c(c1C(OCC)=O)CCCC2)C(C(=NNc1cc(ccc1)[N+]([O-])=O)C(C)=O)=O
SPLASH splash10-056r-1960700000-294719266ddfe9423996
Source of Spectrum ARK-2008-303-4g
Wiley ID 1869394