| SpectraBase Spectrum ID |
50LcW9xwe6P |
| Name |
2-Phenyl-3-benzyl-3-hydroxy-3H-indole N-oxide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.125928789 u |
| Formula |
C21H17NO2 |
| InChI |
InChI=1S/C21H17NO2/c23-21(15-16-9-3-1-4-10-16)18-13-7-8-14-19(18)22(24)20(21)17-11-5-2-6-12-17/h1-14,23H,15H2 |
| InChIKey |
KQGYHZOHGRYOHH-UHFFFAOYSA-N |
| SMILES |
C1(=[N+](C2=C(C1(CC=1C=CC=CC1)O)C=CC=C2)[O-])C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.983979 |
