| SpectraBase Spectrum ID |
58Ony7qC0yP |
| Name |
2-Methoxy-5-nitrophenol, butyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
225.100107963 u |
| Formula |
C11H15NO4 |
| InChI |
InChI=1S/C11H15NO4/c1-3-4-7-16-11-8-9(12(13)14)5-6-10(11)15-2/h5-6,8H,3-4,7H2,1-2H3 |
| InChIKey |
ZQSIPERKKSAXIK-UHFFFAOYSA-N |
| Molecular Weight |
225.244 g/mol |
| SMILES |
C1(=CC(OCCCC)=C(C=C1)OC)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946862 |
