| SpectraBase Spectrum ID |
I3LftGjfF12 |
| Name |
p-Hydroxyphenytoin methyl ether, 3-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.116092380 u |
| Formula |
C17H16N2O3 |
| InChI |
InChI=1S/C17H16N2O3/c1-11-4-3-5-13(10-11)17(15(20)18-16(21)19-17)12-6-8-14(22-2)9-7-12/h3-10H,1-2H3,(H2,18,19,20,21) |
| InChIKey |
RSDLFFGUYBRTQZ-UHFFFAOYSA-N |
| SMILES |
C1(NC(NC1(C1=CC=CC(=C1)C)C1=CC=C(C=C1)OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913672 |
