| SpectraBase Spectrum ID |
5hPDrytkoga |
| Name |
2,6-Naphthalenedicarboxylic acid, dipentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.198759378 u |
| Formula |
C22H28O4 |
| InChI |
InChI=1S/C22H28O4/c1-3-5-7-13-25-21(23)19-11-9-18-16-20(12-10-17(18)15-19)22(24)26-14-8-6-4-2/h9-12,15-16H,3-8,13-14H2,1-2H3 |
| InChIKey |
VNGZOOULGLTJFT-UHFFFAOYSA-N |
| Molecular Weight |
356.462 g/mol |
| SMILES |
C(=O)(C1=CC2=CC=C(C(OCCCCC)=O)C=C2C=C1)OCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929914 |
