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2-{N-[(Benzyloxycarbonyl)amino]}-2-(trifluoromethyl)-2-(p-tolylsulfanyl)acetaldehyde
SpectraBase Compound ID FLqvaIWggTR
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)
InChIKey AQESYUSLGHYKHF-UHFFFAOYSA-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 8uNAyAqER9V
Name 2-{N-[(Benzyloxycarbonyl)amino]}-2-(trifluoromethyl)-2-(p-tolylsulfanyl)acetaldehyde
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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)
InChIKey AQESYUSLGHYKHF-UHFFFAOYSA-N
Molecular Weight 383.385 g/mol
SMILES N(C(C(F)(F)F)(Sc1ccc(cc1)C)C=O)C(=O)OCc1ccccc1
SPLASH splash10-0006-9300000000-409c8d2ebc92023d162f
Source of Spectrum D1-1996-251-2a
Wiley ID 834795