| SpectraBase Spectrum ID |
5G5g81cZpw |
| Name |
Pentobarbital @ |
| CAS Registry Number |
76-74-4 |
| Classification |
Anesthetic
Hypnotic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
226.131742445 u |
| Formula |
C11H18N2O3 |
| 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) |
| InChIKey |
WEXRUCMBJFQVBZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
226.276 g/mol |
| SMILES |
C(C(C)C1(CC)C(=O)NC(NC1=O)=O)CC |
| SPLASH |
splash10-0a4l-4900000000-d797313a406e9fd41ca2 |
| 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. |
| Sample Preparation Procedure |
Detected: P G U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Thiopental-M (pentobarbital) |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_837 |
