| SpectraBase Spectrum ID |
SP7pPY0X1H |
| Name |
3,5-Dimethyl-4-nitrobenzhydrol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.105193344 u |
| Formula |
C15H15NO3 |
| InChI |
InChI=1S/C15H15NO3/c1-10-8-13(9-11(2)14(10)16(18)19)15(17)12-6-4-3-5-7-12/h3-9,15,17H,1-2H3 |
| InChIKey |
SJGNSMQCMURFOH-UHFFFAOYSA-N |
| Molecular Weight |
257.289 g/mol |
| SMILES |
C1(N(=O)=O)=C(C=C(C=C1C)C(C=1C=CC=CC1)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847424 |
