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Methyl (2S)-4-(2-ethoxycarbonyl)-1H-indol-3-yl)-4-oxo-2-trifluoroacetoamidobutyrate

View entire compound with spectra: 1 MS (GC)

Methyl (2S)-4-(2-ethoxycarbonyl)-1H-indol-3-yl)-4-oxo-2-trifluoroacetoamidobutyrate
SpectraBase Compound ID 6z05SNxOs5K
InChI InChI=1S/C18H17F3N2O6/c1-3-29-16(26)14-13(9-6-4-5-7-10(9)22-14)12(24)8-11(15(25)28-2)23-17(27)18(19,20)21/h4-7,11,22H,3,8H2,1-2H3,(H,23,27)/t11-/m0/s1
InChIKey KBKCITLFWGMLKS-NSHDSACASA-N
Mol Weight 414.34 g/mol
Molecular Formula C18H17F3N2O6
Exact Mass 414.103871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DO6bBZuPY2b
Name Methyl (2S)-4-(2-ethoxycarbonyl)-1H-indol-3-yl)-4-oxo-2-trifluoroacetoamidobutyrate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17F3N2O6
InChI InChI=1S/C18H17F3N2O6/c1-3-29-16(26)14-13(9-6-4-5-7-10(9)22-14)12(24)8-11(15(25)28-2)23-17(27)18(19,20)21/h4-7,11,22H,3,8H2,1-2H3,(H,23,27)/t11-/m0/s1
InChIKey KBKCITLFWGMLKS-NSHDSACASA-N
Molecular Weight 414.337 g/mol
SMILES N(C(C(F)(F)F)=O)[C@@](CC(c1c([nH]c2ccccc12)C(=O)OCC)=O)(C(=O)OC)[H]
SPLASH splash10-014i-0090200000-a05b5271ff5bf6547aba
Source of Spectrum E1-42-452-39
Synonyms 3-[(3S)-4-methoxy-1,4-dioxo-3-[(2,2,2-trifluoro-1-oxoethyl)amino]butyl]-1H-indole-2-carboxylic acid ethyl ester ethyl 3-[(3S)-4-methoxy-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoyl]-1H-indole-2-carboxylate ethyl 3-[(3S)-4-methoxy-4-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1H-indole-2-carboxylate
Wiley ID 1552405