![4-Penten-1-one, 1-bicyclo[2.2.1]hept-5-en-2-yl-, exo-](/api/spectrum/EMjEKue7GnX/structure.png?h=300&w=458 "4-Penten-1-one, 1-bicyclo[2.2.1]hept-5-en-2-yl-, exo-")
| SpectraBase Compound ID | B0I6nh5foIL |
|---|---|
| InChI | InChI=1S/C12H16O/c1-2-3-4-12(13)11-8-9-5-6-10(11)7-9/h2,5-6,9-11H,1,3-4,7-8H2/t9-,10+,11-/m1/s1 |
| InChIKey | AZAUPGAGFWOWNI-OUAUKWLOSA-N |
| Mol Weight | 176.26 g/mol |
| Molecular Formula | C12H16O |
| Exact Mass | 176.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EMjEKue7GnX |
|---|---|
| Name | 4-Penten-1-one, 1-bicyclo[2.2.1]hept-5-en-2-yl-, exo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.120115134 u |
| Formula | C12H16O |
| InChI | InChI=1S/C12H16O/c1-2-3-4-12(13)11-8-9-5-6-10(11)7-9/h2,5-6,9-11H,1,3-4,7-8H2/t9-,10+,11-/m1/s1 |
| InChIKey | AZAUPGAGFWOWNI-OUAUKWLOSA-N |
| Molecular Weight | 176.259 g/mol |
| SMILES | [C@@]12([C@](C(=O)CCC=C)(C[C@@](C2)(C=C1)[H])[H])[H] |