| SpectraBase Spectrum ID |
AYoOwdyoPhF |
| Name |
Methyl 4-(p-nitrophenoxy)butyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.079372518 u |
| Formula |
C11H13NO5 |
| InChI |
InChI=1S/C11H13NO5/c1-16-11(13)3-2-8-17-10-6-4-9(5-7-10)12(14)15/h4-7H,2-3,8H2,1H3 |
| InChIKey |
MJMZBXYBWMBFNY-UHFFFAOYSA-N |
| Molecular Weight |
239.227 g/mol |
| SMILES |
C1=C(C=CC(=C1)N(=O)=O)OCCCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816874 |
