| SpectraBase Spectrum ID |
9VDT4hwIvbX |
| Name |
2-Benzyloxy-1-methoxy-3-(3-nitropropyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.131408092 u |
| Formula |
C17H19NO4 |
| InChI |
InChI=1S/C17H19NO4/c1-21-16-11-5-9-15(10-6-12-18(19)20)17(16)22-13-14-7-3-2-4-8-14/h2-5,7-9,11H,6,10,12-13H2,1H3 |
| InChIKey |
FMWKUNUFICACJH-UHFFFAOYSA-N |
| Molecular Weight |
301.342 g/mol |
| SMILES |
C(N(=O)=O)CCC1=C(OCC=2C=CC=CC2)C(OC)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919236 |
