| SpectraBase Compound ID | 7qY1VaxtoHL |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-6-7-4-2-3-5-8(7)9(10)11-6/h6-8H,2-5H2,1H3/t6-,7-,8-/m1/s1 |
| InChIKey | LRCFBLCWYSNMBD-BWZBUEFSSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HsVdKciFmbP |
|---|---|
| Name | rel-(3R,3as,7ar)-3-Methylhexahydrophthalide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-6-7-4-2-3-5-8(7)9(10)11-6/h6-8H,2-5H2,1H3/t6-,7-,8-/m1/s1 |
| InChIKey | LRCFBLCWYSNMBD-BWZBUEFSSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C1(O[C@](C)([C@@]2([C@]1(CCCC2)[H])[H])[H])=O |