| SpectraBase Compound ID | BbVsq3I8yoy |
|---|---|
| InChI | InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-14H,3,6,8,10H2,1-2,4H3/t13-,14+/m0/s1 |
| InChIKey | JIJQKFPGBBEJNF-UONOGXRCSA-N |
| Mol Weight | 218.34 g/mol |
| Molecular Formula | C15H22O |
| Exact Mass | 218.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4lGBK6tAODM |
|---|---|
| Name | (1'R,6S)-2-Methyl-6-(4-methylenecyclohex-2-eyl)hept-2-en-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.167065327 u |
| Formula | C15H22O |
| InChI | InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-14H,3,6,8,10H2,1-2,4H3/t13-,14+/m0/s1 |
| InChIKey | JIJQKFPGBBEJNF-UONOGXRCSA-N |
| Molecular Weight | 218.340 g/mol |
| SMILES | C1=CC(=C)CC[C@@]1([C@](CC(C=C(C)C)=O)(C)[H])[H] |