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[4'-(Phenylazo)phenacyl] N-{[2,2-bis(ethoxycarbonyl)vinylamino](2"-methylsulfonylethyl]methyl}carboxylate
SpectraBase Compound ID D1yuRseugqY
InChI InChI=1S/C27H31N3O9S/c1-4-37-25(32)22(26(33)38-5-2)17-28-23(15-16-40(3,35)36)27(34)39-18-24(31)19-11-13-21(14-12-19)30-29-20-9-7-6-8-10-20/h6-14,17,23,28H,4-5,15-16,18H2,1-3H3/b30-29+
InChIKey GRQRRHXJULKYAL-QVIHXGFCSA-N
Mol Weight 573.62 g/mol
Molecular Formula C27H31N3O9S
Exact Mass 573.178101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8jagg3yaUZ
Name [4'-(Phenylazo)phenacyl] N-{[2,2-bis(ethoxycarbonyl)vinylamino](2"-methylsulfonylethyl]methyl}carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31N3O9S
InChI InChI=1S/C27H31N3O9S/c1-4-37-25(32)22(26(33)38-5-2)17-28-23(15-16-40(3,35)36)27(34)39-18-24(31)19-11-13-21(14-12-19)30-29-20-9-7-6-8-10-20/h6-14,17,23,28H,4-5,15-16,18H2,1-3H3/b30-29+
InChIKey GRQRRHXJULKYAL-QVIHXGFCSA-N
Molecular Weight 573.617 g/mol
SMILES N(C=C(C(=O)OCC)C(=O)OCC)C(C(OCC(c1ccc(\N=N\c2ccccc2)cc1)=O)=O)CCS(=O)(=O)C
SPLASH splash10-004i-9220000000-0ca8774d67b3f0911b17
Source of Spectrum Y4-90-134-9
Synonyms 4'-Phenylazophenacyl N-[2'',2''-bis(ethoxycarbonyl)vinylamino}-2-(.delta.-methylsulfonyl)butanoate 4'-Phenylazophenacyl N-[2'',2''-bis(ethoxycarbonyl)vinylamino}-2-(.delta.-methylsulfonyl)butanoate [4'-(Phenylazo)phenacyl]N-{[2,2-bis(ethoxycarbonyl)vinylamino](2''-methylsulfonylethyl]methyl}carboxylate
Wiley ID 1550391