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

*Links on SpectraBase are not permalinks.
Ketamine-D4 TFA
SpectraBase Compound ID L45nQtxKGNr
InChI InChI=1S/C15H15ClF3NO2/c1-20(13(22)15(17,18)19)14(9-5-4-8-12(14)21)10-6-2-3-7-11(10)16/h2-3,6-7H,4-5,8-9H2,1H3/i2D,3D,6D,7D
InChIKey YIXRRRKGRKFADU-USSMZTJJSA-N
Mol Weight 337.76 g/mol
Molecular Formula C15H11D4ClF3NO2
Exact Mass 337.099448 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 AybTURGJtUE
Name Tetradeutero-trifluoroacetyl Ketamine
Alternate Name(s) N-(1-(2-chlorophenyl-3,4,5,6-d4)-2-oxocyclohexyl)-2,2,2-trifluoro-N-methylacetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11D4ClF3NO2
InChI InChI=1S/C15H15ClF3NO2/c1-20(13(22)15(17,18)19)14(9-5-4-8-12(14)21)10-6-2-3-7-11(10)16/h2-3,6-7H,4-5,8-9H2,1H3/i2D,3D,6D,7D
InChIKey YIXRRRKGRKFADU-USSMZTJJSA-N
Literature Reference DOI 10.1002/rcm.2682
Molecular Weight 337.763 g/mol
SMILES C1(CCCCC1(c1c(c(c(c(c1Cl)[D])[D])[D])[D])N(C(=O)C(F)(F)F)C)=O
SPLASH splash10-044l-2960000000-7402e8abc4a00f9f4214
Source of Spectrum RCM-20-3160-KET_d4_TFA
Wiley ID 1820400