| SpectraBase Compound ID | 740W4qlc4uq |
|---|---|
| InChI | InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12H,1,5-8H2,2-4H3 |
| InChIKey | NUWMTBMCSQWPDG-UHFFFAOYSA-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 | 6xfeTlnBDqL |
|---|---|
| Name | (3S,5R,8S)-3,8-Dimethyl-5-(prop-1-en-2-yl)-2,3,5,6,7,8-hexahydroazulen-1(4H)-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/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12H,1,5-8H2,2-4H3 |
| InChIKey | NUWMTBMCSQWPDG-UHFFFAOYSA-N |
| Molecular Weight | 218.340 g/mol |
| SMILES | C1(CC(C)C2=C1C(C)CCC(C2)C(=C)C)=O |