| SpectraBase Spectrum ID |
5zygVEcOq8l |
| Name |
3-Chloro-2-nitrobenzyl alcohol, isopropyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.050570947 u |
| Formula |
C10H12ClNO3 |
| InChI |
InChI=1S/C10H12ClNO3/c1-7(2)15-6-8-4-3-5-9(11)10(8)12(13)14/h3-5,7H,6H2,1-2H3 |
| InChIKey |
KYXZPYQYNIJMJN-UHFFFAOYSA-N |
| Molecular Weight |
229.663 g/mol |
| SMILES |
C1(=C(C=CC=C1COC(C)C)Cl)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821179 |
