| SpectraBase Spectrum ID |
Jo2xTYdbrY4 |
| Name |
(4-Nitrophenyl)(o-tolyl)methanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.089543280 u |
| Formula |
C14H13NO3 |
| InChI |
InChI=1S/C14H13NO3/c1-10-4-2-3-5-13(10)14(16)11-6-8-12(9-7-11)15(17)18/h2-9,14,16H,1H3 |
| InChIKey |
RJAGIDMXVJNREG-UHFFFAOYSA-N |
| Molecular Weight |
243.262 g/mol |
| SMILES |
C=1C=C(C=CC1[N+](=O)[O-])C(O)C1=CC=CC=C1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887976 |
