| SpectraBase Spectrum ID |
I7llC937r3G |
| Name |
Isophthalic acid, dec-2-yl hexyl 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/c1-4-6-8-10-11-12-15-20(3)28-24(26)22-17-14-16-21(19-22)23(25)27-18-13-9-7-5-2/h14,16-17,19-20H,4-13,15,18H2,1-3H3 |
| InChIKey |
IIASWTWQOFGBCS-UHFFFAOYSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
C1=C(C=CC=C1C(OC(C)CCCCCCCC)=O)C(=O)OCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944318 |
