| SpectraBase Spectrum ID |
AoQ7q8P1g6B |
| Name |
Isophthalic acid, dec-2-yl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.277009700 u |
| Formula |
C24H38O4 |
| InChI |
InChI=1S/C24H38O4/c1-5-6-7-8-9-10-14-20(4)28-24(26)22-16-11-15-21(18-22)23(25)27-17-12-13-19(2)3/h11,15-16,18-20H,5-10,12-14,17H2,1-4H3 |
| InChIKey |
VVKRIXRQRGGBSC-UHFFFAOYSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
C1=C(C=CC=C1C(OC(C)CCCCCCCC)=O)C(=O)OCCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808355 |
