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Acetic acid, chlorodifluoro-, 2-methoxy-5-[2-[(trifluoroacetyl)amino]propyl]phenyl ester, (.+-.)-
SpectraBase Compound ID BsT2KPbWccx
InChI InChI=1S/C14H13ClF5NO4/c1-7(21-11(22)14(18,19)20)5-8-3-4-9(24-2)10(6-8)25-12(23)13(15,16)17/h3-4,6-7H,5H2,1-2H3,(H,21,22)
InChIKey VQBWHQXIUYXJRY-UHFFFAOYSA-N
Mol Weight 389.71 g/mol
Molecular Formula C14H13ClF5NO4
Exact Mass 389.045326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85BOXuN9I7V
Name Acetic acid, chlorodifluoro-, 2-methoxy-5-[2-[(trifluoroacetyl)amino]propyl]phenyl ester, (.+-.)-
Alternate Name(s) 2-Methoxy-5-{2-[(trifluoroacetyl)amino]propyl}phenyl chloro(difluoro)acetate N-monochlorodifluoroacetyl-3-0-methyl-4-0-trifluoroacetyl-.alpha.-methyldopamine N-monochlorodifluoroacetyl-3-O-methyl-4-O-trifluoroacetyl-.alpha.-methyldopamine
CAS Registry Number 74694-30-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13ClF5NO4
InChI InChI=1S/C14H13ClF5NO4/c1-7(21-11(22)14(18,19)20)5-8-3-4-9(24-2)10(6-8)25-12(23)13(15,16)17/h3-4,6-7H,5H2,1-2H3,(H,21,22)
InChIKey VQBWHQXIUYXJRY-UHFFFAOYSA-N
Molecular Weight 389.706 g/mol
SMILES N(C(C(F)(F)F)=O)C(Cc1cc(OC(C(Cl)(F)F)=O)c(cc1)OC)C
SPLASH splash10-08fr-0890000000-6a52e68a2cbe3f3acc97
Source of Spectrum KO-6-557-2
Wiley ID 1364238