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Haloperidol-D4 -H2O
SpectraBase Compound ID 6pmfvZdIdLG
InChI InChI=1S/C21H21ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-11H,1-2,12-15H2/i3D,4D,7D,8D
InChIKey ZNOLNAPJKOYTHY-KNIGXJNHSA-N
Mol Weight 361.88 g/mol
Molecular Formula C21H17D4ClFNO
Exact Mass 361.154677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVOXSkok1ri
Name Haloperidol-D4 -H2O
Classification Neuroleptic
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Exact Mass 361.154677146 u
Formula C21H17ClD4FNO
InChI InChI=1S/C21H21ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-11H,1-2,12-15H2/i3D,4D,7D,8D
InChIKey ZNOLNAPJKOYTHY-KNIGXJNHSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 361.881 g/mol
SMILES c1(c(c([D])c(c(c1[D])[D])Cl)[D])C1=CCN(CC1)CCCC(c1ccc(cc1)F)=O
SPLASH splash10-0006-3930000000-abe81fe334a2747272ff
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_5428