![2-[(1S)-4-methyl-3-cyclohexen-1-yl]propyl-3-methylbutanoate](/api/spectrum/F1jbzHJCtpn/structure.png?h=300&w=458 "2-[(1S)-4-methyl-3-cyclohexen-1-yl]propyl-3-methylbutanoate")
| SpectraBase Compound ID | FCNJJDHnmg3 |
|---|---|
| InChI | InChI=1S/C15H26O2/c1-11(2)9-15(16)17-10-13(4)14-7-5-12(3)6-8-14/h5,11,13-14H,6-10H2,1-4H3/t13?,14-/m1/s1 |
| InChIKey | VJJQDACGAQKNSG-ARLHGKGLSA-N |
| Mol Weight | 238.37 g/mol |
| Molecular Formula | C15H26O2 |
| Exact Mass | 238.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | F1jbzHJCtpn |
|---|---|
| Name | 2-[(1S)-4-Methyl-3-cyclohexen-1-yl]propyl-3-methylbutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.193280075 u |
| Formula | C15H26O2 |
| InChI | InChI=1S/C15H26O2/c1-11(2)9-15(16)17-10-13(4)14-7-5-12(3)6-8-14/h5,11,13-14H,6-10H2,1-4H3/t13?,14-/m1/s1 |
| InChIKey | VJJQDACGAQKNSG-ARLHGKGLSA-N |
| Molecular Weight | 238.371 g/mol |
| SMILES | C(CC(C)C)(=O)OCC(C)[C@]1(CCC(=CC1)C)[H] |