SpectraBase Spectrum ID |
LDGtE6tj3g2 |
Name |
Succinic acid, cyclohexylmethyl 2-ethylbutyl 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/c1-3-14(4-2)12-20-16(18)10-11-17(19)21-13-15-8-6-5-7-9-15/h14-15H,3-13H2,1-2H3 |
InChIKey |
SYHZTAHIDGGYNO-UHFFFAOYSA-N |
SMILES |
C(CC(OCC1CCCCC1)=O)C(OCC(CC)CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903889 |