| SpectraBase Spectrum ID |
DjH5kS0uCjU |
| Name |
Phthalic acid, hexadecyl 2-propylpentyl 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/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-26-35-31(33)29-24-19-20-25-30(29)32(34)36-27-28(22-5-2)23-6-3/h19-20,24-25,28H,4-18,21-23,26-27H2,1-3H3 |
| InChIKey |
GHIUKKNNGVQMQI-UHFFFAOYSA-N |
| Molecular Weight |
502.780 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OCC(CCC)CCC)=O)(OCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.84252 |
