| SpectraBase Compound ID | BMiFPMcdSCf |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-7(2)5-6-8(3)11-9(4)10/h8H,1,5-6H2,2-4H3 |
| InChIKey | LPUVJRVSBZNREN-UHFFFAOYSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 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 | G5QqBJPXwPO |
|---|---|
| Name | Acetic acid, 1,4-dimethylpent-4-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-7(2)5-6-8(3)11-9(4)10/h8H,1,5-6H2,2-4H3 |
| InChIKey | LPUVJRVSBZNREN-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C=C(CCC(OC(C)=O)C)C |