| SpectraBase Spectrum ID |
Je9FOQZk187 |
| Name |
Phthalic acid, ethyl 2-(4-nitrophenoxy)ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.100501884 u |
| Formula |
C18H17NO7 |
| InChI |
InChI=1S/C18H17NO7/c1-2-24-17(20)15-5-3-4-6-16(15)18(21)26-12-11-25-14-9-7-13(8-10-14)19(22)23/h3-10H,2,11-12H2,1H3 |
| InChIKey |
YVCLFAWLRDETFF-UHFFFAOYSA-N |
| Molecular Weight |
359.334 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(=O)OCCOC1=CC=C(C=C1)N(=O)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94077 |
