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(R)-N-(Benzyloxycarbonyl)-S-(p-tolyl)chlorodifluoropyruvaldehyde
SpectraBase Compound ID 66KxT107Ae8
InChI InChI=1S/C18H16ClF2NO3S/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)
InChIKey DEBVWDDTOCRUTC-UHFFFAOYSA-N
Mol Weight 399.84 g/mol
Molecular Formula C18H16ClF2NO3S
Exact Mass 399.050749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWN2yZWLsSM
Name (R)-N-(Benzyloxycarbonyl)-S-(p-tolyl)chlorodifluoropyruvaldehyde
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Formula C18H16ClF2NO3S
InChI InChI=1S/C18H16ClF2NO3S/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)
InChIKey DEBVWDDTOCRUTC-UHFFFAOYSA-N
Molecular Weight 399.840 g/mol
SMILES N(C(C(F)(F)Cl)(Sc1ccc(cc1)C)C=O)C(=O)OCc1ccccc1
SPLASH splash10-006x-9920000000-0464dd4318a8fce2b8af
Source of Spectrum J-62-8039-2
Synonyms (R)-Chlorodifluoropyruvaldehyde N,S-ketal benzyl 2-chloro-2,2-difluoro-1-formyl-1-[(4-methylphenyl)sulfanyl]ethylcarbamate
Wiley ID 1368888