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(E/Z)-6-Hydroxy-6-phenyl-2-(2,2,2-trichloroethoxycarbonylamino)-hex-4-enoic acid methyl
SpectraBase Compound ID 2US2Grj1BU6
InChI InChI=1S/C16H18Cl3NO5/c1-24-14(22)12(20-15(23)25-10-16(17,18)19)8-5-9-13(21)11-6-3-2-4-7-11/h2-7,9,12-13,21H,8,10H2,1H3,(H,20,23)/b9-5+
InChIKey ZXDKDVCAWQJXRM-WEVVVXLNSA-N
Mol Weight 410.68 g/mol
Molecular Formula C16H18Cl3NO5
Exact Mass 409.025056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GotbclhC1ce
Name (E/Z)-6-Hydroxy-6-phenyl-2-(2,2,2-trichloroethoxycarbonylamino)-hex-4-enoic acid methyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18Cl3NO5
InChI InChI=1S/C16H18Cl3NO5/c1-24-14(22)12(20-15(23)25-10-16(17,18)19)8-5-9-13(21)11-6-3-2-4-7-11/h2-7,9,12-13,21H,8,10H2,1H3,(H,20,23)/b9-5+
InChIKey ZXDKDVCAWQJXRM-WEVVVXLNSA-N
Literature Reference DOI 10.1002/adsc.200600482
Molecular Weight 410.681 g/mol
SMILES N(C(OCC(Cl)(Cl)Cl)=O)C(C\C=C\C(c1ccccc1)O)C(OC)=O
SPLASH splash10-053r-2399000000-1aa0334c04350ae6fa2d
Source of Spectrum ASC-349-157/SM9-12
Synonyms Ester (E)-methyl 6-hydroxy-6-phenyl-2-(((2,2,2-trichloroethoxy)carbonyl)amino)hex-4-enoate
Wiley ID 1765303