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3-AMINO-2-[(TRICHLOROMETHYL)THIO]CROTONIC ACID, ETHYL ESTER
SpectraBase Compound ID 19xyEJqMw20
InChI InChI=1S/C7H10Cl3NO2S/c1-3-13-6(12)5(4(2)11)14-7(8,9)10/h3,11H2,1-2H3/b5-4-
InChIKey SXBCYIQSUDPJPK-PLNGDYQASA-N
Mol Weight 278.58 g/mol
Molecular Formula C7H10Cl3NO2S
Exact Mass 276.949783 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7rxHLYWBwk4
Name 3-AMINO-2-[(TRICHLOROMETHYL)THIO]CROTONIC ACID, ETHYL ESTER
Source of Sample R. K. Howe J. Org. Chem. 42, 3230(1977)
CAS Registry Number 63089-24-7
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10Cl3NO2S
InChI InChI=1S/C7H10Cl3NO2S/c1-3-13-6(12)5(4(2)11)14-7(8,9)10/h3,11H2,1-2H3/b5-4-
InChIKey SXBCYIQSUDPJPK-PLNGDYQASA-N
Molecular Weight 278.59
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-100
Synonyms CROTONIC ACID, 3-AMINO-2-//TRICHLOROMETHYL/THIO/-, ETHYL ESTER