| SpectraBase Spectrum ID |
BB93zDWZNOX |
| Name |
1-Cyclohexene-1-propanoic acid, 2-(methoxycarbonyl)-3,3-dimethyl-6-oxo-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.131073739 u |
| Formula |
C14H20O5 |
| InChI |
InChI=1S/C14H20O5/c1-14(2)8-7-10(15)9(5-6-11(16)18-3)12(14)13(17)19-4/h5-8H2,1-4H3 |
| InChIKey |
GOCALXXDJPUIOK-UHFFFAOYSA-N |
| Molecular Weight |
268.309 g/mol |
| SMILES |
C1(=C(C(=O)CCC1(C)C)CCC(=O)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913328 |
