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Ketamine-D4 HFB
SpectraBase Compound ID GVgS5JJVO6x
InChI InChI=1S/C17H15ClF7NO2/c1-26(13(28)15(19,20)16(21,22)17(23,24)25)14(9-5-4-8-12(14)27)10-6-2-3-7-11(10)18/h2-3,6-7H,4-5,8-9H2,1H3/i2D,3D,6D,7D
InChIKey XGIJVICCUNXLDZ-USSMZTJJSA-N
Mol Weight 437.78 g/mol
Molecular Formula C17H11D4ClF7NO2
Exact Mass 437.093061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lzppCEhCy
Name Ketamine-heptafluorobutyramide-d4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11D4ClF7NO2
InChI InChI=1S/C17H15ClF7NO2/c1-26(13(28)15(19,20)16(21,22)17(23,24)25)14(9-5-4-8-12(14)27)10-6-2-3-7-11(10)18/h2-3,6-7H,4-5,8-9H2,1H3/i2D,3D,6D,7D
InChIKey XGIJVICCUNXLDZ-USSMZTJJSA-N
Literature Reference DOI 10.1002/rcm.4357
Molecular Weight 437.778 g/mol
SMILES C1(C(CCCC1)=O)(N(C(=O)C(C(C(F)(F)F)(F)F)(F)F)C)c1c(c(c(c(c1[D])[D])[D])[D])Cl
SPLASH splash10-02fx-0389100000-83f34bd2c0d24459b403
Source of Spectrum RCM-24-51-HFBA_d4_Ke
Synonyms N-(1-(2-chlorophenyl-3,4,5,6-d4)-2-oxocyclohexyl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
Wiley ID 1814620