| SpectraBase Spectrum ID |
KQNkVJFmzyF |
| Name |
3-Methoxy-4-nitrobenzyl alcohol, 2-methylpropyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.115758027 u |
| Formula |
C12H17NO4 |
| InChI |
InChI=1S/C12H17NO4/c1-9(2)7-17-8-10-4-5-11(13(14)15)12(6-10)16-3/h4-6,9H,7-8H2,1-3H3 |
| InChIKey |
GUUKFXPXJDELSF-UHFFFAOYSA-N |
| Molecular Weight |
239.271 g/mol |
| SMILES |
C1(=CC(=C(C=C1)N(=O)=O)OC)COCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962476 |
