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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)

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SpectraBase Spectrum ID HfN638cugVn
Name Ketamine-D4 TFA
Classification Anesthetic
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Exact Mass 337.099447898 u
Formula C15H11D4ClNO2F3
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
Ionization Type Electron Ionization (EI)
Molecular Weight 337.763 g/mol
SMILES C1CCCC(C1=O)(N(C)C(C(F)(F)F)=O)c1c(c([D])c([D])c([D])c1Cl)[D]
SPLASH splash10-044l-1960000000-93b771e93c6bcdda9981
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_7783