| SpectraBase Compound ID | 8ETe0fDqZbk |
|---|---|
| InChI | InChI=1S/C13H22O2/c1-7-12(14)15-11(9-10(3)4)13(5,6)8-2/h8-9,11H,2,7H2,1,3-6H3 |
| InChIKey | OTRUQIDANLIZDL-UHFFFAOYSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C13H22O2 |
| Exact Mass | 210.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BL2cRVr94ys |
|---|---|
| Name | 1,5-Heptadien-4-ol, 3,3,6-trimethyl-, propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.161979946 u |
| Formula | C13H22O2 |
| InChI | InChI=1S/C13H22O2/c1-7-12(14)15-11(9-10(3)4)13(5,6)8-2/h8-9,11H,2,7H2,1,3-6H3 |
| InChIKey | OTRUQIDANLIZDL-UHFFFAOYSA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | C(C=C(C)C)(OC(=O)CC)C(C=C)(C)C |