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2-[(BENZOYLOXYCARBONYL)-AMINO]-2-[(4-METHYLPHENYL)-SULFENYL]-3,3,3-TRIFLUOROPROPANAL
SpectraBase Compound ID 4XzumKCQVGP
InChI InChI=1S/C18H16F3NO3S/c1-13-7-9-15(10-8-13)26-17(12-23,18(19,20)21)22-16(24)25-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,24)/t17-/m1/s1
InChIKey AQESYUSLGHYKHF-QGZVFWFLSA-N
Mol Weight 383.39 g/mol
Molecular Formula C18H16F3NO3S
Exact Mass 383.080299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BooYIqLfte4
Name (phenylmethyl) N-[(2R)-1,1,1-tris(fluoranyl)-2-(4-methylphenyl)sulfanyl-3-oxidanylidene-propan-2-yl]carbamate
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Formula C18H16F3NO3S
InChI InChI=1S/C18H16F3NO3S/c1-13-7-9-15(10-8-13)26-17(12-23,18(19,20)21)22-16(24)25-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,22,24)/t17-/m1/s1
InChIKey AQESYUSLGHYKHF-QGZVFWFLSA-N
Molecular Weight 383.385 g/mol
SMILES N([C@@](C(F)(F)F)(Sc1ccc(cc1)C)C=O)C(=O)OCc1ccccc1
SPLASH splash10-0006-9300000000-6b5cf14fa74bf58697f2
Source of Spectrum J-62-8039-2
Synonyms benzyl N-[(1R)-2,2,2-trifluoro-1-formyl-1-(p-tolylsulfanyl)ethyl]carbamate benzyl N-[(2R)-1,1,1-trifluoro-2-(4-methylphenyl)sulfanyl-3-oxopropan-2-yl]carbamate N-[(1R)-2,2,2-trifluoro-1-formyl-1-(p-tolylthio)ethyl]carbamic acid benzyl ester N-[(2R)-1,1,1-trifluoro-2-[(4-methylphenyl)thio]-3-oxopropan-2-yl]carbamic acid (phenylmethyl) ester
Wiley ID 1361004