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

*Links on SpectraBase are not permalinks.
(S)-N-Trifluoromethanesulfonyl-3-chlorovaline methyl ester
SpectraBase Compound ID GjW892QNPhl
InChI InChI=1S/C7H11ClF3NO4S/c1-6(2,8)4(5(13)16-3)12-17(14,15)7(9,10)11/h4,12H,1-3H3/t4-/m0/s1
InChIKey KGWXKZJFXMJVLM-BYPYZUCNSA-N
Mol Weight 297.68 g/mol
Molecular Formula C7H11ClF3NO4S
Exact Mass 297.004941 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 9tgRqUF5l7W
Name (S)-N-Trifluoromethanesulfonyl-3-chlorovaline methyl ester
Alternate Name(s) Methyl (2S)-3-chloro-3-methyl-2-{[(trifluoromethyl)sulfonyl]amino}butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H11ClF3NO4S
InChI InChI=1S/C7H11ClF3NO4S/c1-6(2,8)4(5(13)16-3)12-17(14,15)7(9,10)11/h4,12H,1-3H3/t4-/m0/s1
InChIKey KGWXKZJFXMJVLM-BYPYZUCNSA-N
Molecular Weight 297.676 g/mol
SMILES N([C@@](C(=O)OC)(C(C)(C)Cl)[H])S(=O)(=O)C(F)(F)F
SPLASH splash10-0fb9-7290000000-aaee7bd8a2904be5376f
Source of Spectrum KD-14-2925-20
Wiley ID 1636347