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(2S,3S)-3-hydroxy-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)butanoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2S,3S)-3-hydroxy-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)butanoic acid methyl ester
SpectraBase Compound ID 1tHjMYdced2
InChI InChI=1S/C14H16F3NO5/c1-9(19)13(11(20)22-2,14(15,16)17)18-12(21)23-8-10-6-4-3-5-7-10/h3-7,9,19H,8H2,1-2H3,(H,18,21)/t9-,13-/m0/s1
InChIKey MKZPUKDVJBEPSR-ZANVPECISA-N
Mol Weight 335.28 g/mol
Molecular Formula C14H16F3NO5
Exact Mass 335.098057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETUWMlPTQts
Name (2S,3S)-3-hydroxy-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)butanoic acid methyl ester
Alternate Name(s) Methyl (2S,3S)-3-hydroxy-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)butanoate Methyl (2S,3S)-3-oxidanyl-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)butanoate Methyl (2S,3S)-2-(benzyloxycarbonylamino)-3-hydroxy-2-(trifluoromethyl)butanoate
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Formula C14H16F3NO5
InChI InChI=1S/C14H16F3NO5/c1-9(19)13(11(20)22-2,14(15,16)17)18-12(21)23-8-10-6-4-3-5-7-10/h3-7,9,19H,8H2,1-2H3,(H,18,21)/t9-,13-/m0/s1
InChIKey MKZPUKDVJBEPSR-ZANVPECISA-N
Molecular Weight 335.279 g/mol
SMILES N([C@]([C@@](O)(C)[H])(C(F)(F)F)C(=O)OC)C(=O)OCc1ccccc1
SPLASH splash10-0006-9200000000-bdb0903adf88e8795f13
Source of Spectrum J-65-2970-18
Wiley ID 1532517