| SpectraBase Spectrum ID |
F7CtSW0QIdM |
| Name |
2-Methoxy-5-nitrophenol, propyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
211.084457899 u |
| Formula |
C10H13NO4 |
| InChI |
InChI=1S/C10H13NO4/c1-3-6-15-10-7-8(11(12)13)4-5-9(10)14-2/h4-5,7H,3,6H2,1-2H3 |
| InChIKey |
WRVKWDXNFSAJLZ-UHFFFAOYSA-N |
| Molecular Weight |
211.217 g/mol |
| SMILES |
C1(=CC(OCCC)=C(C=C1)OC)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961793 |
