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N-(3-Ethoxycarbonyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-2-(4-methoxyphenylhydrazono)-3-oxobutanamide
SpectraBase Compound ID KCLYiGL0niw
InChI InChI=1S/C22H25N3O5S/c1-4-30-22(28)18-16-7-5-6-8-17(16)31-21(18)23-20(27)19(13(2)26)25-24-14-9-11-15(29-3)12-10-14/h9-12,24H,4-8H2,1-3H3,(H,23,27)
InChIKey TZRKLENHISLYNI-UHFFFAOYSA-N
Mol Weight 443.52 g/mol
Molecular Formula C22H25N3O5S
Exact Mass 443.151492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1dm6O3hAvt
Name N-(3-Ethoxycarbonyl-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-2-(4-methoxyphenylhydrazono)-3-oxobutanamide
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25N3O5S
InChI InChI=1S/C22H25N3O5S/c1-4-30-22(28)18-16-7-5-6-8-17(16)31-21(18)23-20(27)19(13(2)26)25-24-14-9-11-15(29-3)12-10-14/h9-12,24H,4-8H2,1-3H3,(H,23,27)
InChIKey TZRKLENHISLYNI-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 443.518 g/mol
SMILES N(c1sc2c(c1C(OCC)=O)CCCC2)C(C(=NNc1ccc(cc1)OC)C(C)=O)=O
SPLASH splash10-004i-0690500000-1ea2e2a8de69d0d06bad
Source of Spectrum ARK-2008-301-4a
Wiley ID 1869388