| SpectraBase Spectrum ID |
FPR7oba62Q1 |
| Name |
Succinic acid, cyclohexylmethyl 4-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-3-5-12-17(9-4-2)23-19(21)14-13-18(20)22-15-16-10-7-6-8-11-16/h16-17H,3-15H2,1-2H3 |
| InChIKey |
KQBZLNGYJQJZFT-UHFFFAOYSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(CC(OCC1CCCCC1)=O)C(OC(CCCC)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973888 |
