| SpectraBase Spectrum ID |
KetEhaSmLaM |
| Name |
Terephthalic acid, heptyl isopropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.183109313 u |
| Formula |
C18H26O4 |
| InChI |
InChI=1S/C18H26O4/c1-4-5-6-7-8-13-21-17(19)15-9-11-16(12-10-15)18(20)22-14(2)3/h9-12,14H,4-8,13H2,1-3H3 |
| InChIKey |
MKGBQLZBKFJPTE-UHFFFAOYSA-N |
| Molecular Weight |
306.402 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCCCCCC)=O)C(OC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807301 |
