| SpectraBase Compound ID | CFweZLC2AeF |
|---|---|
| InChI | InChI=1S/C17H24O2/c1-10(2)14-7-6-11(3)15-9-17(19-13(5)18)12(4)8-16(14)15/h8-11,14H,6-7H2,1-5H3/t11-,14-/m0/s1 |
| InChIKey | RCLQXADZIBRWQR-FZMZJTMJSA-N |
| Mol Weight | 260.38 g/mol |
| Molecular Formula | C17H24O2 |
| Exact Mass | 260.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2gSXFqJ4HW |
|---|---|
| Name | 7-Acetoxycalamenene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.177630011 u |
| Formula | C17H24O2 |
| InChI | InChI=1S/C17H24O2/c1-10(2)14-7-6-11(3)15-9-17(19-13(5)18)12(4)8-16(14)15/h8-11,14H,6-7H2,1-5H3/t11-,14-/m0/s1 |
| InChIKey | RCLQXADZIBRWQR-FZMZJTMJSA-N |
| Molecular Weight | 260.377 g/mol |
| SMILES | C1(=C(C=C2C(=C1)[C@](CC[C@]2(C(C)C)[H])(C)[H])C)OC(=O)C |