| SpectraBase Spectrum ID |
6nS6G6uOfiE |
| Name |
Phthalic acid, hexyl octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
502.402210215 u |
| Formula |
C32H54O4 |
| InChI |
InChI=1S/C32H54O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-24-28-36-32(34)30-26-22-21-25-29(30)31(33)35-27-23-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3 |
| InChIKey |
DKKAKCKBMLWCPM-UHFFFAOYSA-N |
| Molecular Weight |
502.780 g/mol |
| SMILES |
C1=C(C(=CC=C1)C(=O)OCCCCCC)C(=O)OCCCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871386 |
