| SpectraBase Spectrum ID |
I1lW8ligDiQ |
| Name |
Terephthalic acid, cycloheptyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.167459249 u |
| Formula |
C18H24O4 |
| InChI |
InChI=1S/C18H24O4/c1-2-13-21-17(19)14-9-11-15(12-10-14)18(20)22-16-7-5-3-4-6-8-16/h9-12,16H,2-8,13H2,1H3 |
| InChIKey |
HKDLQPQNJCEMSE-UHFFFAOYSA-N |
| SMILES |
CCCOC(C1=CC=C(C(OC2CCCCCC2)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912886 |
