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Methyl (2S)-3-(1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SpectraBase Compound ID IB88ZHEpoBc
InChI InChI=1S/C14H13F3N2O3/c1-22-12(20)11(19-13(21)14(15,16)17)6-8-7-18-10-5-3-2-4-9(8)10/h2-5,7,11,18H,6H2,1H3,(H,19,21)/t11-/m0/s1
InChIKey FRCDVDBVNOWDDM-NSHDSACASA-N
Mol Weight 314.26 g/mol
Molecular Formula C14H13F3N2O3
Exact Mass 314.087827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E6yHmMkLI4A
Name Methyl (2S)-3-(1H-indol-3-yl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13F3N2O3
InChI InChI=1S/C14H13F3N2O3/c1-22-12(20)11(19-13(21)14(15,16)17)6-8-7-18-10-5-3-2-4-9(8)10/h2-5,7,11,18H,6H2,1H3,(H,19,21)/t11-/m0/s1
InChIKey FRCDVDBVNOWDDM-NSHDSACASA-N
Instrument Name HP G1800A GCD or VG 12-250
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19970422)11_7_762
Molecular Weight 314.264 g/mol
SMILES [nH]1cc(C[C@](NC(C(F)(F)F)=O)(C(=O)OC)[H])c2ccccc12
SPLASH splash10-001i-0900000000-5daede830b85512ae0ae
Source of Spectrum RCM-11-764-1i
Wiley ID 1837570