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(1-S,2-S)-2-[(BENZOYLOXYCARBONYL)-AMINO]-3,3,3-TRIFLUORO-1-PHENYLPROPAN-1-OL
SpectraBase Compound ID EBWI2ucgyu
InChI InChI=1S/C17H16F3NO3/c18-17(19,20)15(14(22)13-9-5-2-6-10-13)21-16(23)24-11-12-7-3-1-4-8-12/h1-10,14-15,22H,11H2,(H,21,23)/t14-,15+/m1/s1
InChIKey QIPWEMRODOLTDP-CABCVRRESA-N
Mol Weight 339.31 g/mol
Molecular Formula C17H16F3NO3
Exact Mass 339.108228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aaw43XmDffH
Name (1R,2R)-n-1-Phenyl-2-(N-p-carbobenzoxy)amino-3,3,3-trifluoropropanol
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Formula C17H16F3NO3
InChI InChI=1S/C17H16F3NO3/c18-17(19,20)15(14(22)13-9-5-2-6-10-13)21-16(23)24-11-12-7-3-1-4-8-12/h1-10,14-15,22H,11H2,(H,21,23)/t14-,15+/m1/s1
InChIKey QIPWEMRODOLTDP-CABCVRRESA-N
Molecular Weight 339.314 g/mol
SMILES N([C@@]([C@@](c1ccccc1)(O)[H])(C(F)(F)F)[H])C(=O)OCc1ccccc1
SPLASH splash10-052f-7921000000-27342f986671341cd24e
Source of Spectrum F-54-12804-20
Synonyms benzyl (1S)-2,2,2-trifluoro-1-[(R)-hydroxy(phenyl)methyl]ethylcarbamate
Wiley ID 809322