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2-[(Benzyloxycarbonyl)amino]-2-[(4-methylphenyl)sulfenyl]-3,3-difluoropropanal
SpectraBase Compound ID HbafK0TDMHu
InChI InChI=1S/C18H17F2NO3S/c1-13-7-9-15(10-8-13)25-18(12-22,16(19)20)21-17(23)24-11-14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,21,23)/t18-/m0/s1
InChIKey SJFWXLFLWIAGMY-SFHVURJKSA-N
Mol Weight 365.39 g/mol
Molecular Formula C18H17F2NO3S
Exact Mass 365.089721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFJb6J6oBA6
Name 2-[(Benzyloxycarbonyl)amino]-2-[(4-methylphenyl)sulfenyl]-3,3-difluoropropanal
Alternate Name(s) ((S)-2,2-Difluoro-1-formyl-1-p-tolylsulfanyl-ethyl)-carbamic acid benzyl ester (R)-Difluoropyruvaldehyde N,S-ketal benzyl 2,2-difluoro-1-formyl-1-[(4-methylphenyl)sulfanyl]ethylcarbamate
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Formula C18H17F2NO3S
InChI InChI=1S/C18H17F2NO3S/c1-13-7-9-15(10-8-13)25-18(12-22,16(19)20)21-17(23)24-11-14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,21,23)/t18-/m0/s1
InChIKey SJFWXLFLWIAGMY-SFHVURJKSA-N
Molecular Weight 365.395 g/mol
SMILES N([C@@](Sc1ccc(cc1)C)(C(F)F)C=O)C(=O)OCc1ccccc1
SPLASH splash10-0006-9300000000-9de702d3630c94c18f02
Source of Spectrum J-63-7242-1
Wiley ID 1351337