| SpectraBase Spectrum ID |
7bvqzIZf2mx |
| Name |
Phthalic acid, dec-2-yl tetradecyl 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/c1-4-6-8-10-12-13-14-15-16-17-19-23-27-35-31(33)29-25-21-22-26-30(29)32(34)36-28(3)24-20-18-11-9-7-5-2/h21-22,25-26,28H,4-20,23-24,27H2,1-3H3 |
| InChIKey |
CXBCVUSSEUIPJD-UHFFFAOYSA-N |
| Molecular Weight |
502.780 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(OCCCCCCCCCCCCCC)=O)C(OC(C)CCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905408 |
