| SpectraBase Spectrum ID |
ElJLxGxT0KL |
| Name |
Phthalic acid, 2-(4-nitrophenoxy)ethyl 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/c1-2-11-26-18(21)16-5-3-4-6-17(16)19(22)27-13-12-25-15-9-7-14(8-10-15)20(23)24/h3-10H,2,11-13H2,1H3 |
| InChIKey |
MCZVCEYLIPOISG-UHFFFAOYSA-N |
| Molecular Weight |
373.361 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(=O)OCCOC1=CC=C(C=C1)N(=O)=O)C(=O)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894192 |
