| SpectraBase Spectrum ID |
5cZgfRfX1s0 |
| Name |
Benzenemethanol, 3-methoxy-, 4-nitrobenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.079372518 u |
| Formula |
C15H13NO5 |
| InChI |
InChI=1S/C15H13NO5/c1-20-14-4-2-3-11(9-14)10-21-15(17)12-5-7-13(8-6-12)16(18)19/h2-9H,10H2,1H3 |
| InChIKey |
WUENNNMLOGXIAF-UHFFFAOYSA-N |
| SMILES |
C1(N(=O)=O)=CC=C(C(OCC=2C=C(OC)C=CC2)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957904 |
