| SpectraBase Spectrum ID |
DfBodAltKSo |
| Name |
Phthalic acid, octadecyl 2-propylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
530.433510344 u |
| Formula |
C34H58O4 |
| InChI |
InChI=1S/C34H58O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-37-33(35)31-26-21-22-27-32(31)34(36)38-29-30(24-5-2)25-6-3/h21-22,26-27,30H,4-20,23-25,28-29H2,1-3H3 |
| InChIKey |
CWDXYOBIFBTGBI-UHFFFAOYSA-N |
| Molecular Weight |
530.834 g/mol |
| SMILES |
C(C1=CC=CC=C1C(OCC(CCC)CCC)=O)(OCCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890455 |
