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[4'-(Phenylazo)phenacyl]N-{[2,2-bis(ethoxycarbonyl)vinylamino](2''-methylthioethyl)methyl}carboxylate
SpectraBase Compound ID 9Ga8NkngJzl
InChI InChI=1S/C27H31N3O7S/c1-4-35-25(32)22(26(33)36-5-2)17-28-23(15-16-38-3)27(34)37-18-24(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 GOXITAKHJSDDED-QVIHXGFCSA-N
Mol Weight 541.62 g/mol
Molecular Formula C27H31N3O7S
Exact Mass 541.188272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JNCFIVIB7Mp
Name [4'-(Phenylazo)phenacyl] N-{[2,2-bis(ethoxycarbonyl)vinylamino](2"-methylthioethyl)methyl}carboxylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31N3O7S
InChI InChI=1S/C27H31N3O7S/c1-4-35-25(32)22(26(33)36-5-2)17-28-23(15-16-38-3)27(34)37-18-24(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 GOXITAKHJSDDED-QVIHXGFCSA-N
Molecular Weight 541.619 g/mol
SMILES N(C=C(C(=O)OCC)C(=O)OCC)C(C(OCC(c1ccc(\N=N\c2ccccc2)cc1)=O)=O)CCSC
SPLASH splash10-03fr-9130000000-a5c66233a627b2061534
Source of Spectrum Y4-90-134-8
Synonyms 4'-Phenylazophenacyl N-[2'',2''-bis(ethoxycarbonyl)vinylamino}-2-(.delta.-methylthio)butanoate 4'-Phenylazophenacyl N-[2'',2''-bis(ethoxycarbonyl)vinylamino}-2-(.delta.-methylthio)butanoate [4'-(Phenylazo)phenacyl]N-{[2,2-bis(ethoxycarbonyl)vinylamino](2''-methylthioethyl)methyl}carboxylate
Wiley ID 1550392