| SpectraBase Spectrum ID |
AfOxXvZyHei |
| Name |
Phthalic 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(25-17-11-5-1-2-6-12-17)19-15-9-10-16-20(19)22(24)26-18-13-7-3-4-8-14-18/h9-10,15-18H,1-8,11-14H2 |
| InChIKey |
GULQIIBSEHFYOM-UHFFFAOYSA-N |
| Molecular Weight |
358.478 g/mol |
| SMILES |
C1(CCCCCC1)OC(=O)C1=C(C=CC=C1)C(OC1CCCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957295 |
