| SpectraBase Spectrum ID |
Gabl8M2vvGU |
| Name |
1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-3-oxo-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.125594437 u |
| Formula |
C12H18O3 |
| InChI |
InChI=1S/C12H18O3/c1-5-15-11(14)10-8(2)9(13)6-7-12(10,3)4/h5-7H2,1-4H3 |
| InChIKey |
JVQVWBASBXLDAQ-UHFFFAOYSA-N |
| Molecular Weight |
210.273 g/mol |
| SMILES |
C1(CCC(C(=C1C(OCC)=O)C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962943 |
