| SpectraBase Spectrum ID |
GUZ62JlSzf2 |
| Name |
Terephthalic acid, 4-heptyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-4-7-8-15-23-19(21)16-11-13-17(14-12-16)20(22)24-18(9-5-2)10-6-3/h11-14,18H,4-10,15H2,1-3H3 |
| InChIKey |
VLWFMKHSIGDSDA-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OC(CCC)CCC)=O)C(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888159 |
