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(S)-.alpha.-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(3-methoxy-3-oxo-1-propenyl)benzenepropanoic acid phenylmethyl ester
SpectraBase Compound ID Arya9HJGhtM
InChI InChI=1S/C25H29NO6/c1-25(2,3)32-24(29)26-21(23(28)31-17-20-8-6-5-7-9-20)16-19-12-10-18(11-13-19)14-15-22(27)30-4/h5-15,21H,16-17H2,1-4H3,(H,26,29)/b15-14+/t21-/m0/s1
InChIKey WCSWRICHJMGSQN-JLVIMGNISA-N
Mol Weight 439.51 g/mol
Molecular Formula C25H29NO6
Exact Mass 439.199488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3fqhJFpAzv
Name (S)-.alpha.-[[(1,1-dimethylethoxy)carbonyl]amino]-4-(3-methoxy-3-oxo-1-propenyl)benzenepropanoic acid phenylmethyl ester
CAS Registry Number 123993-22-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H29NO6
InChI InChI=1S/C25H29NO6/c1-25(2,3)32-24(29)26-21(23(28)31-17-20-8-6-5-7-9-20)16-19-12-10-18(11-13-19)14-15-22(27)30-4/h5-15,21H,16-17H2,1-4H3,(H,26,29)/b15-14+/t21-/m0/s1
InChIKey WCSWRICHJMGSQN-JLVIMGNISA-N
Molecular Weight 439.508 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](C(OCc1ccccc1)=O)(Cc1ccc(\C=C\C(=O)OC)cc1)[H]
SPLASH splash10-052f-9001000000-60c4fa9a2fec6fde9643
Source of Spectrum J-55-908-3
Synonyms Methyl (2E)-3-(4-{(2S)-3-(benzyloxy)-2-[(tert-butoxycarbonyl)amino]-3-oxopropyl}phenyl)-2-propenoate
Wiley ID 1384436