| SpectraBase Compound ID | L5cbmFpNqFq |
|---|---|
| InChI | InChI=1S/C15H24O/c1-14(2)9-12-11(14)5-4-10-8-15(12,3)7-6-13(10)16/h10-12H,4-9H2,1-3H3/t10-,11-,12+,15-/m1/s1 |
| InChIKey | YMEIZAGUTPNLQD-MCYUEQNJSA-N |
| Mol Weight | 220.36 g/mol |
| Molecular Formula | C15H24O |
| Exact Mass | 220.182715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E4PhydXTNIK |
|---|---|
| Name | Isocaryolan-9-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.182715392 u |
| Formula | C15H24O |
| InChI | InChI=1S/C15H24O/c1-14(2)9-12-11(14)5-4-10-8-15(12,3)7-6-13(10)16/h10-12H,4-9H2,1-3H3/t10-,11-,12+,15-/m1/s1 |
| InChIKey | YMEIZAGUTPNLQD-MCYUEQNJSA-N |
| Molecular Weight | 220.356 g/mol |
| SMILES | [C@]12([C@@]3([C@](CC[C@@](C2)([H])C(CC1)=O)([H])C(C3)(C)C)[H])C |