For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 MS (GC)

Methyl (+)-(2S)-4-(2-ethoxycarbonyl)-1H-indol-3-yl)-2-trifluoroacetoamidobutyrate
SpectraBase Compound ID 4zjYOXbV3g4
InChI InChI=1S/C18H19F3N2O5/c1-3-28-16(25)14-11(10-6-4-5-7-12(10)22-14)8-9-13(15(24)27-2)23-17(26)18(19,20)21/h4-7,13,22H,3,8-9H2,1-2H3,(H,23,26)/t13-/m0/s1
InChIKey WKXXQIXEBYDCKP-ZDUSSCGKSA-N
Mol Weight 400.35 g/mol
Molecular Formula C18H19F3N2O5
Exact Mass 400.124606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EphPKrNPoGf
Name Methyl (+)-(2S)-4-(2-ethoxycarbonyl)-1H-indol-3-yl)-2-trifluoroacetoamidobutyrate
Alternate Name(s) 3-[(3S)-4-methoxy-4-oxo-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]butyl]-1H-indole-2-carboxylate ethyl 3-[(3S)-4-methoxy-4-oxidanylidene-3-[2,2,2-tris(fluoranyl)ethanoylamino]butyl]-1H-indole-2-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19F3N2O5
InChI InChI=1S/C18H19F3N2O5/c1-3-28-16(25)14-11(10-6-4-5-7-12(10)22-14)8-9-13(15(24)27-2)23-17(26)18(19,20)21/h4-7,13,22H,3,8-9H2,1-2H3,(H,23,26)/t13-/m0/s1
InChIKey WKXXQIXEBYDCKP-ZDUSSCGKSA-N
Molecular Weight 400.354 g/mol
SMILES [nH]1c2ccccc2c(CC[C@](NC(C(F)(F)F)=O)(C(=O)OC)[H])c1C(=O)OCC
SPLASH splash10-0pb9-0900800000-0d83041431c3d3eebca8
Source of Spectrum E1-42-452-40
Wiley ID 1552404