| SpectraBase Spectrum ID |
Ix801Pe8xro |
| Name |
Thiobutabarbital |
| CAS Registry Number |
2095-57-0 |
| Classification |
Anesthetic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
228.093248935 u |
| Formula |
C10H16N2O2S |
| InChI |
InChI=1S/C10H16N2O2S/c1-4-6(3)10(5-2)7(13)11-9(15)12-8(10)14/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15) |
| InChIKey |
IDELNEDBPWKHGK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
228.310 g/mol |
| SMILES |
C1(NC(=O)C(CC)(C(C)CC)C(=O)N1)=S |
| SPLASH |
splash10-05fr-2900000000-e0fcb3b20ca396111cbe |
| 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 UHY UHYAC |
| 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_992 |
