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4-[Benzyloxycarbonyl-(2-iodo-4,6-dimethylphenyl)-amino]-but-2-enoic acid methyl ester
SpectraBase Compound ID 7ajiqE3P4Pw
InChI InChI=1S/C21H22INO4/c1-15-12-16(2)20(18(22)13-15)23(11-7-10-19(24)26-3)21(25)27-14-17-8-5-4-6-9-17/h4-10,12-13H,11,14H2,1-3H3/b10-7+
InChIKey AULKJSSBKZIACM-JXMROGBWSA-N
Mol Weight 479.31 g/mol
Molecular Formula C21H22INO4
Exact Mass 479.059353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7SUse1qj7Zl
Name 4-[Benzyloxycarbonyl-(2-iodo-4,6-dimethylphenyl)-amino]-but-2-enoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22INO4
InChI InChI=1S/C21H22INO4/c1-15-12-16(2)20(18(22)13-15)23(11-7-10-19(24)26-3)21(25)27-14-17-8-5-4-6-9-17/h4-10,12-13H,11,14H2,1-3H3/b10-7+
InChIKey AULKJSSBKZIACM-JXMROGBWSA-N
Literature Reference DOI 10.1021/ol802616u
Molecular Weight 479.314 g/mol
SMILES c1(cc(C)cc(I)c1N(C\C=C\C(OC)=O)C(OCc1ccccc1)=O)C
SPLASH splash10-0006-7409100000-64faaa86972363891225
Source of Spectrum A1-11-249/SMS23-5c
Synonyms (E)-methyl 4-(((benzyloxy)carbonyl)(2-iodo-4,6-dimethylphenyl)amino)but-2-enoate
Wiley ID 1756493