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(E/Z)-6-Hydroxy-2-(2,2,2-trichloroethoxycarbonylamino)-tetradec-4-enoic acid methyl ester
SpectraBase Compound ID 5HwsfBC377l
InChI InChI=1S/C18H30Cl3NO5/c1-3-4-5-6-7-8-10-14(23)11-9-12-15(16(24)26-2)22-17(25)27-13-18(19,20)21/h9,11,14-15,23H,3-8,10,12-13H2,1-2H3,(H,22,25)/b11-9+
InChIKey VGSIDUZCKFXXQQ-PKNBQFBNSA-N
Mol Weight 446.8 g/mol
Molecular Formula C18H30Cl3NO5
Exact Mass 445.118956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ku7EuBYF6a
Name (E/Z)-6-Hydroxy-2-(2,2,2-trichloroethoxycarbonylamino)-tetradec-4-enoic acid methyl ester
Alternate Name(s) (E)-methyl 6-hydroxy-2-(((2,2,2-trichloroethoxy)carbonyl)amino)tetradec-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30Cl3NO5
InChI InChI=1S/C18H30Cl3NO5/c1-3-4-5-6-7-8-10-14(23)11-9-12-15(16(24)26-2)22-17(25)27-13-18(19,20)21/h9,11,14-15,23H,3-8,10,12-13H2,1-2H3,(H,22,25)/b11-9+
InChIKey VGSIDUZCKFXXQQ-PKNBQFBNSA-N
Literature Reference DOI 10.1002/adsc.200600482
Molecular Weight 446.799 g/mol
SMILES N(C(C\C=C\C(CCCCCCCC)O)C(OC)=O)C(OCC(Cl)(Cl)Cl)=O
SPLASH splash10-0007-9742200000-7d453078e2f8b928cbde
Source of Spectrum ASC-349-157/SM9-11
Wiley ID 1765302