| SpectraBase Spectrum ID |
8hqukx848gu |
| Name |
4-Methoxy-3-nitrobenzyl alcohol, N-propyl 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/c1-3-6-16-8-9-4-5-11(15-2)10(7-9)12(13)14/h4-5,7H,3,6,8H2,1-2H3 |
| InChIKey |
GMJJCYPRAWUEQT-UHFFFAOYSA-N |
| Molecular Weight |
225.244 g/mol |
| SMILES |
C1(=CC(=C(C=C1)OC)N(=O)=O)COCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862513 |
