| SpectraBase Compound ID | K9E7c4bqqdv |
|---|---|
| InChI | InChI=1S/C9H16O2.C3H8/c1-8(10)11-7-9-5-3-2-4-6-9;1-3-2/h9H,2-7H2,1H3;3H2,1-2H3 |
| InChIKey | PMFVZFLHWVPNAQ-UHFFFAOYSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4HyTno1AR1t |
|---|---|
| Name | (-)-trans-myrtanylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.177630011 u |
| Formula | C12H24O2 |
| InChI | InChI=1S/C9H16O2.C3H8/c1-8(10)11-7-9-5-3-2-4-6-9;1-3-2/h9H,2-7H2,1H3;3H2,1-2H3 |
| InChIKey | PMFVZFLHWVPNAQ-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| Nominal Mass | 200 u |
| SMILES | C(C)C.C1(CCCCC1)COC(=O)C |