| SpectraBase Spectrum ID |
1GQYwcNMsJQ |
| Name |
Phthalic acid, 3-methoxy-4-nitrobenzyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.116151949 u |
| Formula |
C19H19NO7 |
| InChI |
InChI=1S/C19H19NO7/c1-3-10-26-18(21)14-6-4-5-7-15(14)19(22)27-12-13-8-9-16(20(23)24)17(11-13)25-2/h4-9,11H,3,10,12H2,1-2H3 |
| InChIKey |
CFVINQBUUWIQAP-UHFFFAOYSA-N |
| Molecular Weight |
373.361 g/mol |
| SMILES |
C(C1=CC=CC=C1C(=O)OCC1=CC(=C(C=C1)N(=O)=O)OC)(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821943 |
