| SpectraBase Spectrum ID |
ELJafIXWFUF |
| Name |
Phthalic acid, 2-(2-nitrophenyl)ethyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.152537459 u |
| Formula |
C21H23NO6 |
| InChI |
InChI=1S/C21H23NO6/c1-2-3-8-14-27-20(23)17-10-5-6-11-18(17)21(24)28-15-13-16-9-4-7-12-19(16)22(25)26/h4-7,9-12H,2-3,8,13-15H2,1H3 |
| InChIKey |
KQLSKKQGAUFZFS-UHFFFAOYSA-N |
| Molecular Weight |
385.416 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OCCC1=CC=CC=C1N(=O)=O)=O)(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820893 |
