SpectraBase Spectrum ID |
HbFv2OkK3To |
Name |
Phthalic acid, 2,4-dimethylpent-3-yl tridecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
446.339609957 u |
Formula |
C28H46O4 |
InChI |
InChI=1S/C28H46O4/c1-6-7-8-9-10-11-12-13-14-15-18-21-31-27(29)24-19-16-17-20-25(24)28(30)32-26(22(2)3)23(4)5/h16-17,19-20,22-23,26H,6-15,18,21H2,1-5H3 |
InChIKey |
IOKYJDBUNKIZCM-UHFFFAOYSA-N |
Molecular Weight |
446.672 g/mol |
SMILES |
C1=C(C(=CC=C1)C(=O)OCCCCCCCCCCCCC)C(OC(C(C)C)C(C)C)=O |