| SpectraBase Spectrum ID |
E3bhff50jvx |
| Name |
Phenytoin-M (HO-methoxy-) 2ME |
| Classification |
Anticonvulsant |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
326.126657064 u |
| Formula |
C18H18N2O4 |
| InChI |
InChI=1S/C18H18N2O4/c1-20-16(21)18(19-17(20)22,12-7-5-4-6-8-12)13-9-10-14(23-2)15(11-13)24-3/h4-11H,1-3H3,(H,19,22) |
| InChIKey |
NNYFWCAQQQEAKQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
326.352 g/mol |
| SMILES |
COc1cc(C2(C(N(C)C(N2)=O)=O)c2ccccc2)ccc1OC |
| SPLASH |
splash10-004j-3795000000-67ffb9ee19738a5934b2 |
| 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: UHYME |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Phenytoin-M (HO-methoxy-) 2ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2834 |
