| SpectraBase Spectrum ID |
8MkY4EXuM7Z |
| Name |
4-Methoxy-3-nitrobenzyl alcohol, 3-methylbutyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.131408092 u |
| Formula |
C13H19NO4 |
| InChI |
InChI=1S/C13H19NO4/c1-10(2)6-7-18-9-11-4-5-13(17-3)12(8-11)14(15)16/h4-5,8,10H,6-7,9H2,1-3H3 |
| InChIKey |
NXHONRBSFQDQNS-UHFFFAOYSA-N |
| Molecular Weight |
253.298 g/mol |
| SMILES |
C1(=CC(=C(C=C1)OC)N(=O)=O)COCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815243 |
