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N-(3-Ethoxycarbonyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-2-(4-acetylphenyl hydrazono)-3-oxobutanamide
SpectraBase Compound ID FAo6FPW5TGO
InChI InChI=1S/C23H25N3O5S/c1-4-31-23(30)19-17-7-5-6-8-18(17)32-22(19)24-21(29)20(14(3)28)26-25-16-11-9-15(10-12-16)13(2)27/h9-12,25H,4-8H2,1-3H3,(H,24,29)
InChIKey XRHXXELUYHWSBW-UHFFFAOYSA-N
Mol Weight 455.53 g/mol
Molecular Formula C23H25N3O5S
Exact Mass 455.151492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dgfv1XQpM
Name N-(3-Ethoxycarbonyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-2-(4-acetylphenyl hydrazono)-3-oxobutanamide
Appearance Red solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N3O5S
InChI InChI=1S/C23H25N3O5S/c1-4-31-23(30)19-17-7-5-6-8-18(17)32-22(19)24-21(29)20(14(3)28)26-25-16-11-9-15(10-12-16)13(2)27/h9-12,25H,4-8H2,1-3H3,(H,24,29)
InChIKey XRHXXELUYHWSBW-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 455.529 g/mol
SMILES N(c1sc2c(c1C(OCC)=O)CCCC2)C(C(=NNc1ccc(cc1)C(=O)C)C(C)=O)=O
SPLASH splash10-05vo-5910200000-de9ffdace27dc8d165f3
Source of Spectrum ARK-2008-303-4i
Wiley ID 1869396