| SpectraBase Spectrum ID |
CmOz1g9Mg5f |
| Name |
Terephthalic acid, heptyl 4-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.261359635 u |
| Formula |
C23H36O4 |
| InChI |
InChI=1S/C23H36O4/c1-4-7-9-10-11-18-26-22(24)19-14-16-20(17-15-19)23(25)27-21(12-6-3)13-8-5-2/h14-17,21H,4-13,18H2,1-3H3 |
| InChIKey |
ZGLFECJTIWINMS-UHFFFAOYSA-N |
| Molecular Weight |
376.537 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(OC(CCCC)CCC)=O)C(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949946 |
