| SpectraBase Spectrum ID |
F2pD1JqeLcP |
| Name |
Isophthalic acid, 3,4-dimethylphenyl octyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.214409442 u |
| Formula |
C24H30O4 |
| InChI |
InChI=1S/C24H30O4/c1-4-5-6-7-8-9-15-27-23(25)20-11-10-12-21(17-20)24(26)28-22-14-13-18(2)19(3)16-22/h10-14,16-17H,4-9,15H2,1-3H3 |
| InChIKey |
YRCCNCHBPUGWPX-UHFFFAOYSA-N |
| Molecular Weight |
382.500 g/mol |
| SMILES |
C1=CC(OC(C2=CC(=CC=C2)C(OCCCCCCCC)=O)=O)=CC(=C1C)C |
