SpectraBase Spectrum ID |
JPZEkIuPpYH |
Name |
Methylphenobarbital @ |
CAS Registry Number |
115-38-8 |
Classification |
Hypnotic |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
246.100442316 u |
Formula |
C13H14N2O3 |
InChI |
InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18) |
InChIKey |
ALARQZQTBTVLJV-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
246.266 g/mol |
SMILES |
c1(ccccc1)C1(C(N(C(NC1=O)=O)C)=O)CC |
SPLASH |
splash10-014i-5950000000-d1a4149dc3b08bc2bb5b |
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 |
Cyclobarbital-M (di-HO-) -2H2O ME
Phenobarbital ME |
Technique |
GC/MS |
Wiley ID |
MMPW6e_1120 |