| SpectraBase Compound ID | DP8VEgn2OV1 |
|---|---|
| InChI | InChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-12-10(3)11/h9H,4-8H2,1-3H3 |
| InChIKey | SFCRZVSQIVWLKR-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C10H20O2 |
| Exact Mass | 172.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4ZVkyziYIo5 |
|---|---|
| Name | 3-Methylheptyl acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.146329882 u |
| Formula | C10H20O2 |
| InChI | InChI=1S/C10H20O2/c1-4-5-6-9(2)7-8-12-10(3)11/h9H,4-8H2,1-3H3 |
| InChIKey | SFCRZVSQIVWLKR-UHFFFAOYSA-N |
| Molecular Weight | 172.268 g/mol |
| SMILES | C(OC(=O)C)CC(C)CCCC |