| SpectraBase Spectrum ID |
BvE6HyEDwaS |
| Name |
Isophthalic acid, hept-2-yl nonyl 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/c1-4-6-8-9-10-11-13-18-27-23(25)21-16-14-17-22(19-21)24(26)28-20(3)15-12-7-5-2/h14,16-17,19-20H,4-13,15,18H2,1-3H3 |
| InChIKey |
OMPSEQOVBSYDGY-UHFFFAOYSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
C1=C(C=C(C=C1)C(OC(C)CCCCC)=O)C(=O)OCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939362 |
