| SpectraBase Spectrum ID |
9isDuYzeImV |
| Name |
Terephthalic acid, cycloheptyl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.214409442 u |
| Formula |
C21H30O4 |
| InChI |
InChI=1S/C21H30O4/c1-16(2)8-7-15-24-20(22)17-11-13-18(14-12-17)21(23)25-19-9-5-3-4-6-10-19/h11-14,16,19H,3-10,15H2,1-2H3 |
| InChIKey |
IBFJZIWDRASNAR-UHFFFAOYSA-N |
| Molecular Weight |
346.467 g/mol |
| SMILES |
C1(CCCCCC1)OC(=O)C1=CC=C(C=C1)C(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.8609 |
