| SpectraBase Spectrum ID |
FhtEyAaExBK |
| Name |
Adipic acid, cyclohexyl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-15(2)9-8-14-21-17(19)12-6-7-13-18(20)22-16-10-4-3-5-11-16/h15-16H,3-14H2,1-2H3 |
| InChIKey |
HMVSQNKBAWWCMN-UHFFFAOYSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
C(CCCC(=O)OC1CCCCC1)C(OCCCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827898 |
