| SpectraBase Spectrum ID |
E4KkhZumD2J |
| Name |
Phenytoin-M (HO-) 2ME |
| CAS Registry Number |
54833-61-3 |
| Classification |
Anticonvulsant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
296.116092380 u |
| Formula |
C17H16N2O3 |
| InChI |
InChI=1S/C17H16N2O3/c1-19-15(20)17(18-16(19)21,12-6-4-3-5-7-12)13-8-10-14(22-2)11-9-13/h3-11H,1-2H3,(H,18,21) |
| InChIKey |
NNGQATKQKQJSKA-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
296.326 g/mol |
| SMILES |
COc1ccc(C2(C(=O)N(C)C(N2)=O)c2ccccc2)cc1 |
| SPLASH |
splash10-015a-2590000000-5d2b81fb1bde8f965395 |
| 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 UHYME |
| 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_2833 |
