| SpectraBase Spectrum ID |
KewAdrPvi6G |
| Name |
Adipic acid, dicycloheptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.245709571 u |
| Formula |
C20H34O4 |
| InChI |
InChI=1S/C20H34O4/c21-19(23-17-11-5-1-2-6-12-17)15-9-10-16-20(22)24-18-13-7-3-4-8-14-18/h17-18H,1-16H2 |
| InChIKey |
RBQYSUYZICUMFY-UHFFFAOYSA-N |
| Molecular Weight |
338.488 g/mol |
| SMILES |
C1(CCCCCC1)OC(CCCCC(OC1CCCCCC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980789 |
