![(2R,5R,6S)-5-methyl-4-oxa-exo-tricyclo[5.2.1.0(2,6)]dec-8-en-3-one](/api/spectrum/17bMvKU0VWu/structure.png?h=300&w=458 "(2R,5R,6S)-5-methyl-4-oxa-exo-tricyclo[5.2.1.0(2,6)]dec-8-en-3-one")
| SpectraBase Compound ID | LHvkIRRA5VK |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-5-8-6-2-3-7(4-6)9(8)10(11)12-5/h2-3,5-9H,4H2,1H3/t5-,6?,7?,8+,9-/m1/s1 |
| InChIKey | BQQYWSCMHJRHQG-WLVPEFEWSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 17bMvKU0VWu |
|---|---|
| Name | (2R,5R,6S)-5-Methyl-4-oxa-exo-tricyclo[5.2.1.0(2,6)]dec-8-en-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-5-8-6-2-3-7(4-6)9(8)10(11)12-5/h2-3,5-9H,4H2,1H3/t5-,6?,7?,8+,9-/m1/s1 |
| InChIKey | BQQYWSCMHJRHQG-WLVPEFEWSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C1(O[C@](C)([C@]2(C3C=CC([C@@]12[H])C3)[H])[H])=O |