| SpectraBase Spectrum ID |
6aCQStakGaf |
| Name |
Phthalic acid, dec-2-yl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.417860279 u |
| Formula |
C33H56O4 |
| InChI |
InChI=1S/C33H56O4/c1-4-6-8-10-12-13-14-15-16-17-18-20-24-28-36-32(34)30-26-22-23-27-31(30)33(35)37-29(3)25-21-19-11-9-7-5-2/h22-23,26-27,29H,4-21,24-25,28H2,1-3H3 |
| InChIKey |
BKJGPZPAYRIHRM-UHFFFAOYSA-N |
| Molecular Weight |
516.807 g/mol |
| SMILES |
C1=CC(=C(C=C1)C(OCCCCCCCCCCCCCCC)=O)C(OC(C)CCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908463 |
