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Acetic acid, trifluoro-, 4-[2-[(chlorodifluoroacetyl)amino]propyl]-1,2-phenylene ester, (.+-.)-
SpectraBase Compound ID FF9BWalfRBE
InChI InChI=1S/C15H10ClF8NO5/c1-6(25-10(26)13(16,17)18)4-7-2-3-8(29-11(27)14(19,20)21)9(5-7)30-12(28)15(22,23)24/h2-3,5-6H,4H2,1H3,(H,25,26)
InChIKey QXFFMWBXVAGMJL-UHFFFAOYSA-N
Mol Weight 471.69 g/mol
Molecular Formula C15H10ClF8NO5
Exact Mass 471.011975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6kH9IMEgDW4
Name Acetic acid, trifluoro-, 4-[2-[(chlorodifluoroacetyl)amino]propyl]-1,2-phenylene ester, (.+-.)-
CAS Registry Number 74694-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10ClF8NO5
InChI InChI=1S/C15H10ClF8NO5/c1-6(25-10(26)13(16,17)18)4-7-2-3-8(29-11(27)14(19,20)21)9(5-7)30-12(28)15(22,23)24/h2-3,5-6H,4H2,1H3,(H,25,26)
InChIKey QXFFMWBXVAGMJL-UHFFFAOYSA-N
Molecular Weight 471.687 g/mol
SMILES N(C(C(F)(Cl)F)=O)C(Cc1ccc(c(OC(C(F)(F)F)=O)c1)OC(C(F)(F)F)=O)C
SPLASH splash10-052f-0819000000-34175214fe8f64119ed6
Source of Spectrum KO-6-555-1
Synonyms 4-(2-{[chloro(difluoro)acetyl]amino}propyl)-2-[(trifluoroacetyl)oxy]phenyl trifluoroacetate Bistrifluoroacetyl-N-monochlorodifluoreacetyl-.alpha.-methyldepamine
Wiley ID 1393062