SpectraBase Spectrum ID |
3L16EnsXE58 |
Name |
Succinic acid, cyclohexylmethyl 1-cyclopentylethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
310.214409442 u |
Formula |
C18H30O4 |
InChI |
InChI=1S/C18H30O4/c1-14(16-9-5-6-10-16)22-18(20)12-11-17(19)21-13-15-7-3-2-4-8-15/h14-16H,2-13H2,1H3 |
InChIKey |
LHWJATSHKCPYLT-UHFFFAOYSA-N |
SMILES |
C(CC(OCC1CCCCC1)=O)C(OC(C1CCCC1)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918655 |