| SpectraBase Compound ID | 3w853aq3Hkz |
|---|---|
| InChI | InChI=1S/C21H36O/c1-8-19(4,22-7)14-15-21(6)17(3)12-13-20(5)16(2)10-9-11-18(20)21/h8,10,17-18H,1,9,11-15H2,2-7H3/t17-,18+,19?,20+,21+/m0/s1 |
| InChIKey | VRVYZZJPEDVTBX-POFDQXHJSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C21H36O |
| Exact Mass | 304.276616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8vJEDuNXXZm |
|---|---|
| Name | (+)-o-methylkolavelool |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.276615778 u |
| Formula | C21H36O |
| InChI | InChI=1S/C21H36O/c1-8-19(4,22-7)14-15-21(6)17(3)12-13-20(5)16(2)10-9-11-18(20)21/h8,10,17-18H,1,9,11-15H2,2-7H3/t17-,18+,19?,20+,21+/m0/s1 |
| InChIKey | VRVYZZJPEDVTBX-POFDQXHJSA-N |
| Molecular Weight | 304.518 g/mol |
| SMILES | C1C=C(C)[C@@]2(C)CC[C@](C)([C@@](CCC(C)(C=C)OC)([C@]2([H])C1)C)[H] |