| SpectraBase Spectrum ID |
BdOAZDscohA |
| Name |
Terephthalic acid, cycloheptyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.198759378 u |
| Formula |
C20H28O4 |
| InChI |
InChI=1S/C20H28O4/c1-2-3-8-15-23-19(21)16-11-13-17(14-12-16)20(22)24-18-9-6-4-5-7-10-18/h11-14,18H,2-10,15H2,1H3 |
| InChIKey |
PXKRPVJLBQODDK-UHFFFAOYSA-N |
| Molecular Weight |
332.440 g/mol |
| SMILES |
C1(CCCCCC1)OC(=O)C1=CC=C(C=C1)C(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896674 |
