| SpectraBase Compound ID | 19SHRZ3RXFw |
|---|---|
| InChI | InChI=1S/C16H26O4/c1-2-3-11-19-15(17)13-9-4-5-10-14(13)16(18)20-12-7-6-8-12/h12-14H,2-11H2,1H3 |
| InChIKey | BNTDEXSTEJUHHC-UHFFFAOYSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C16H26O4 |
| Exact Mass | 282.183109 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 | IJABs9GPu3Z |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, butyl cyclobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.183109313 u |
| Formula | C16H26O4 |
| InChI | InChI=1S/C16H26O4/c1-2-3-11-19-15(17)13-9-4-5-10-14(13)16(18)20-12-7-6-8-12/h12-14H,2-11H2,1H3 |
| InChIKey | BNTDEXSTEJUHHC-UHFFFAOYSA-N |
| SMILES | C(C1CCCCC1C(OCCCC)=O)(=O)OC1CCC1 |