| SpectraBase Compound ID | EmV3efurGW6 |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-13-7-5-8-14(15(17)18-4)9-6-11-16(2,3)12-10-13/h6,8,10-11H,5,7,9,12H2,1-4H3/b11-6+,13-10+,14-8- |
| InChIKey | XWKCHMXANVMKCZ-YZOWNXSUSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3k5DCfy2sWC |
|---|---|
| Name | .alpha.-Humulen-14-oic acid, o-methyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c1-13-7-5-8-14(15(17)18-4)9-6-11-16(2,3)12-10-13/h6,8,10-11H,5,7,9,12H2,1-4H3/b11-6+,13-10+,14-8- |
| InChIKey | XWKCHMXANVMKCZ-YZOWNXSUSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C1\C=C\(C\C=C\C(C\C=C\(C1)C)(C)C)C(=O)OC |