| SpectraBase Spectrum ID |
JtCQhpSEIw7 |
| Name |
Benzenemethanol, 2-nitro-5-(phenylmethoxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.084457899 u |
| Formula |
C14H13NO4 |
| InChI |
InChI=1S/C14H13NO4/c16-9-12-8-13(6-7-14(12)15(17)18)19-10-11-4-2-1-3-5-11/h1-8,16H,9-10H2 |
| InChIKey |
YQVDGVOLLBQPKU-UHFFFAOYSA-N |
| Molecular Weight |
259.261 g/mol |
| SMILES |
C=1C=CC(COC=2C=C(C(N(=O)=O)=CC2)CO)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837485 |
