| SpectraBase Spectrum ID |
5yXADzjqz8y |
| Name |
Phthalic acid, 2-ethylbutyl 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/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-31(33)29-24-21-22-25-30(29)32(34)36-27-28(5-2)6-3/h21-22,24-25,28H,4-20,23,26-27H2,1-3H3 |
| InChIKey |
DQMJWEOMCQCYJO-UHFFFAOYSA-N |
| Molecular Weight |
502.780 g/mol |
| SMILES |
C1=CC=CC(=C1C(=O)OCCCCCCCCCCCCCCCCCC)C(OCC(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822185 |
