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Haloperidol-D4 TMS
SpectraBase Compound ID BAxw3luTKei
InChI InChI=1S/C24H31ClFNO2Si/c1-30(2,3)29-24(20-8-10-21(25)11-9-20)14-17-27(18-15-24)16-4-5-23(28)19-6-12-22(26)13-7-19/h6-13H,4-5,14-18H2,1-3H3/i6D,7D,12D,13D
InChIKey GANQAEPVTSXCFF-WXFVEPAKSA-N
Mol Weight 452.08 g/mol
Molecular Formula C24H27D4ClFNO2Si
Exact Mass 451.204769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3MGGVCjJgV
Name Haloperidol-D4 TMS
Classification Neuroleptic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 451.204768622 u
Formula C24H27D4ClFNO2Si
InChI InChI=1S/C24H31ClFNO2Si/c1-30(2,3)29-24(20-8-10-21(25)11-9-20)14-17-27(18-15-24)16-4-5-23(28)19-6-12-22(26)13-7-19/h6-13H,4-5,14-18H2,1-3H3/i6D,7D,12D,13D
InChIKey GANQAEPVTSXCFF-WXFVEPAKSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 452.078 g/mol
SMILES C1(CCN(CCCC(c2c(c(c(F)c(c2[D])[D])[D])[D])=O)CC1)(c1ccc(Cl)cc1)O[Si](C)(C)C
SPLASH splash10-0axs-5972000000-584285f7402e7cb49a07
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_7286