SpectraBase Spectrum ID |
2dqR0zUJDj1 |
Name |
Nealbarbital |
CAS Registry Number |
561-83-1 |
Classification |
Hypnotic |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
238.131742445 u |
Formula |
C12H18N2O3 |
InChI |
InChI=1S/C12H18N2O3/c1-5-6-12(7-11(2,3)4)8(15)13-10(17)14-9(12)16/h5H,1,6-7H2,2-4H3,(H2,13,14,15,16,17) |
InChIKey |
YHKPTICJRUESOY-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
238.287 g/mol |
SMILES |
C1(=O)NC(=O)C(CC=C)(C(N1)=O)CC(C)(C)C |
SPLASH |
splash10-0a4i-9700000000-71881e129c9a021ce1b7 |
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 |
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_1146 |