SpectraBase Spectrum ID |
BfT5txlsPzC |
Name |
Isophthalic acid, decyl 1-propylbutyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
404.292659764 u |
Formula |
C25H40O4 |
InChI |
InChI=1S/C25H40O4/c1-4-7-8-9-10-11-12-13-19-28-24(26)21-17-14-18-22(20-21)25(27)29-23(15-5-2)16-6-3/h14,17-18,20,23H,4-13,15-16,19H2,1-3H3 |
InChIKey |
HACYZLTUDBHWAH-UHFFFAOYSA-N |
Molecular Weight |
404.591 g/mol |
SMILES |
C1=CC(=CC(=C1)C(=O)OCCCCCCCCCC)C(OC(CCC)CCC)=O |