SpectraBase Spectrum ID |
7nPhVqgB3r5 |
Name |
Succinic acid, cyclohex-2-enylmethyl ethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
240.136159120 u |
Formula |
C13H20O4 |
InChI |
InChI=1S/C13H20O4/c1-2-16-12(14)8-9-13(15)17-10-11-6-4-3-5-7-11/h4,6,11H,2-3,5,7-10H2,1H3 |
InChIKey |
CBPSQYKBTUMAIE-UHFFFAOYSA-N |
Molecular Weight |
240.299 g/mol |
SMILES |
C(OC(CCC(OCC1C=CCCC1)=O)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918529 |