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2-Butenimidic acid, N-(trichloroacetyl)-, ethyl ester, (?,E)-
SpectraBase Compound ID JsNRmOCTJzH
InChI InChI=1S/C8H10Cl3NO2/c1-3-5-6(14-4-2)12-7(13)8(9,10)11/h3,5H,4H2,1-2H3/b5-3+,12-6+
InChIKey BGAVOXRTJIIVIZ-IBAXKFRNSA-N
Mol Weight 258.53 g/mol
Molecular Formula C8H10Cl3NO2
Exact Mass 256.977712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFKxSQbbUnb
Name 2-Butenimidic acid, N-(trichloroacetyl)-, ethyl ester, (?,E)-
CAS Registry Number 77605-54-0
Comments Less than 3 mono-isotopic peaks
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Formula C8H10Cl3NO2
InChI InChI=1S/C8H10Cl3NO2/c1-3-5-6(14-4-2)12-7(13)8(9,10)11/h3,5H,4H2,1-2H3/b5-3+,12-6+
InChIKey BGAVOXRTJIIVIZ-IBAXKFRNSA-N
Molecular Weight 258.532 g/mol
SMILES C(C(Cl)(Cl)Cl)(\N=C/(\C=C\C)OCC)=O
SPLASH splash10-08fr-0090000000-1c60bc88ae681893d661
Source of Spectrum C-103-2815-0
Synonyms ethyl (1E,2E)-N-[(E)-2,2,2-trichloroethanoyl]-2-butenimidoate Ethyl N-(trichloroacetyl)-2-(E)-butenimidate
Wiley ID 103086