| SpectraBase Spectrum ID |
4TfZZgCykZf |
| Name |
Phthalic acid, 5-methylhex-2-yl heptadecyl 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/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-35-31(33)29-22-19-20-23-30(29)32(34)36-28(4)25-24-27(2)3/h19-20,22-23,27-28H,5-18,21,24-26H2,1-4H3 |
| InChIKey |
OBBFUHCAZIFXGP-UHFFFAOYSA-N |
| Molecular Weight |
502.780 g/mol |
| SMILES |
C1=CC=CC(=C1C(OCCCCCCCCCCCCCCCCC)=O)C(OC(C)CCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801227 |
