| SpectraBase Spectrum ID |
3vmj6mzmZKl |
| Name |
Allobarbital 2ME |
| CAS Registry Number |
722-97-4 |
| Classification |
Hypnotic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
236.116092380 u |
| Formula |
C12H16N2O3 |
| InChI |
InChI=1S/C12H16N2O3/c1-5-7-12(8-6-2)9(15)13(3)11(17)14(4)10(12)16/h5-6H,1-2,7-8H2,3-4H3 |
| InChIKey |
MCTNRBUJWLUDJG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
236.271 g/mol |
| SMILES |
C(C=C)C1(CC=C)C(=O)N(C)C(N(C1=O)C)=O |
| SPLASH |
splash10-001e-6900000000-e6aadc3a851c533ebdcf |
| 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: UME |
| 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_643 |
