| SpectraBase Spectrum ID |
K16RDWL3jRI |
| Name |
Phenytoin-m (ho-methoxy-) (me)2ac P1429 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.132136366 u |
| Formula |
C21H20N2O6 |
| InChI |
InChI=1S/C21H20N2O6/c1-13(24)23-19(26)21(22(3)20(23)27,15-8-6-5-7-9-15)16-10-11-17(29-14(2)25)18(12-16)28-4/h5-12H,1-4H3 |
| InChIKey |
UDEXOBXXLZIULU-UHFFFAOYSA-N |
| Molecular Weight |
396.399 g/mol |
| SMILES |
CC(OC=1C(=CC(C2(C3=CC=CC=C3)N(C(N(C2=O)C(C)=O)=O)C)=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917322 |
