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N-(3-Ethoxycarbonyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-2-(3-chlorophenyl hydrazono)-3-oxobutanamide
SpectraBase Compound ID 1nE2P4YsCRC
InChI InChI=1S/C21H22ClN3O4S/c1-3-29-21(28)17-15-9-4-5-10-16(15)30-20(17)23-19(27)18(12(2)26)25-24-14-8-6-7-13(22)11-14/h6-8,11,24H,3-5,9-10H2,1-2H3,(H,23,27)
InChIKey WKFYZSLVSVGGOU-UHFFFAOYSA-N
Mol Weight 447.94 g/mol
Molecular Formula C21H22ClN3O4S
Exact Mass 447.101955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHrx1wJowXY
Name N-(3-Ethoxycarbonyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-2-(3-chlorophenyl hydrazono)-3-oxobutanamide
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClN3O4S
InChI InChI=1S/C21H22ClN3O4S/c1-3-29-21(28)17-15-9-4-5-10-16(15)30-20(17)23-19(27)18(12(2)26)25-24-14-8-6-7-13(22)11-14/h6-8,11,24H,3-5,9-10H2,1-2H3,(H,23,27)
InChIKey WKFYZSLVSVGGOU-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 447.937 g/mol
SMILES N(c1sc2c(c1C(OCC)=O)CCCC2)C(C(=NNc1cc(ccc1)Cl)C(C)=O)=O
SPLASH splash10-004i-0980600000-459c9463f95cd21c4c48
Source of Spectrum ARK-2008-302-4f
Wiley ID 1869393