| SpectraBase Spectrum ID |
9xw37rMfbCI |
| Name |
2-Cyclohexene-1-carboxylic acid, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
250.193280075 u |
| Formula |
C16H26O2 |
| InChI |
InChI=1S/C16H26O2/c1-12(2)8-6-10-16(4)11-7-9-13(3)14(16)15(17)18-5/h8-9,14H,6-7,10-11H2,1-5H3 |
| InChIKey |
KVTBXXZQQPFUFK-UHFFFAOYSA-N |
| Molecular Weight |
250.382 g/mol |
| SMILES |
C1(C(=O)OC)C(=CCCC1(CCC=C(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815802 |
