| SpectraBase Spectrum ID |
FCMrSgrsoiZ |
| Name |
Succinic acid, 3,4-dimethylcyclohexyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.214409442 u |
| Formula |
C17H30O4 |
| InChI |
InChI=1S/C17H30O4/c1-4-5-6-11-20-16(18)9-10-17(19)21-15-8-7-13(2)14(3)12-15/h13-15H,4-12H2,1-3H3 |
| InChIKey |
NGXAYRFFCIGZPP-UHFFFAOYSA-N |
| SMILES |
C1(CCC(C(C1)C)C)OC(CCC(OCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858161 |
