| SpectraBase Compound ID | 6Ohk5moRJ2z |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey | DBGLRAHCYJTYEH-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 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 | 6YAnIbSsOFe |
|---|---|
| Name | 2-Butenoic acid, 3-methyl-, 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-8(2)5-6-12-10(11)7-9(3)4/h7-8H,5-6H2,1-4H3 |
| InChIKey | DBGLRAHCYJTYEH-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | CC(C)CCOC(=O)C=C(C)C |