| SpectraBase Spectrum ID |
1uXhOJnUpul |
| Name |
Terephthalic acid, di(cycloheptyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.214409442 u |
| Formula |
C22H30O4 |
| InChI |
InChI=1S/C22H30O4/c23-21(25-19-9-5-1-2-6-10-19)17-13-15-18(16-14-17)22(24)26-20-11-7-3-4-8-12-20/h13-16,19-20H,1-12H2 |
| InChIKey |
OULOADNLXLYZNZ-UHFFFAOYSA-N |
| Molecular Weight |
358.478 g/mol |
| SMILES |
C1(CCCCCC1)OC(C1=CC=C(C(OC2CCCCCC2)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879793 |
