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

*Links on SpectraBase are not permalinks.
Pentobarbital-d5
SpectraBase Compound ID IeIovG8XGAa
InChI InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/i2D3,5D2
InChIKey WEXRUCMBJFQVBZ-ZTIZGVCASA-N
Mol Weight 231.31 g/mol
Molecular Formula C11H13D5N2O3
Exact Mass 231.163126 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 4ZSuKpdVT6
Name Pentobarbital-D5
CAS Registry Number 52944-66-8
Classification Anesthetic Hypnotic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 231.163126174 u
Formula C11H13D5N2O3
InChI InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)/i2D3,5D2
InChIKey WEXRUCMBJFQVBZ-ZTIZGVCASA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 231.307 g/mol
SMILES C(C(C)C1(C(C([D])([D])[D])([D])[D])C(=O)NC(NC1=O)=O)CC
SPLASH splash10-03dl-2900000000-07c14e83a103279663ca
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_6882