| SpectraBase Spectrum ID |
55xWQFVOpUf |
| Name |
4-Methoxy-3-nitrobenzyl alcohol, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
225.063722453 u |
| Formula |
C10H11NO5 |
| InChI |
InChI=1S/C10H11NO5/c1-7(12)16-6-8-3-4-10(15-2)9(5-8)11(13)14/h3-5H,6H2,1-2H3 |
| InChIKey |
GQZJPLTVIHEURG-UHFFFAOYSA-N |
| Molecular Weight |
225.200 g/mol |
| SMILES |
C1(=CC(=C(C=C1)OC)N(=O)=O)COC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961113 |
