| SpectraBase Compound ID | 3O8aXVFM8bB |
|---|---|
| InChI | InChI=1S/C18H30O2Si/c1-15-9-7-10-16(17(19)20-21(4,5)6)11-8-13-18(2,3)14-12-15/h8,10,12-13H,7,9,11,14H2,1-6H3/b13-8+,15-12+,16-10- |
| InChIKey | NMXACPSHVUSKCP-QBYMCDSPSA-N |
| Mol Weight | 306.52 g/mol |
| Molecular Formula | C18H30O2Si |
| Exact Mass | 306.201507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AHB7TreeQZi |
|---|---|
| Name | .alpha.-Humulen-14-oic acid, tms |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.201506739 u |
| Formula | C18H30O2Si |
| InChI | InChI=1S/C18H30O2Si/c1-15-9-7-10-16(17(19)20-21(4,5)6)11-8-13-18(2,3)14-12-15/h8,10,12-13H,7,9,11,14H2,1-6H3/b13-8+,15-12+,16-10- |
| InChIKey | NMXACPSHVUSKCP-QBYMCDSPSA-N |
| SMILES | C1\C=C\(C\C=C\C(C\C=C\(C1)C)(C)C)C(=O)O[Si](C)(C)C |