| SpectraBase Spectrum ID |
JeBwyULVCSE |
| Name |
Isophthalic acid, decyl 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.308309828 u |
| Formula |
C26H42O4 |
| InChI |
InChI=1S/C26H42O4/c1-4-7-9-10-11-12-13-14-19-29-25(27)23-17-15-18-24(20-23)26(28)30-21-22(6-3)16-8-5-2/h15,17-18,20,22H,4-14,16,19,21H2,1-3H3 |
| InChIKey |
UVLAAWYNPWCTIL-UHFFFAOYSA-N |
| Molecular Weight |
418.618 g/mol |
| SMILES |
CCCCCCCCCCOC(C=1C=C(C(OCC(CCCC)CC)=O)C=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815261 |
