![1-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1-pentanone](/api/spectrum/HadovW4km8s/structure.png?h=300&w=458 "1-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1-pentanone")
| SpectraBase Compound ID | 3DX10jTTSQb |
|---|---|
| InChI | InChI=1S/C14H24O/c1-4-5-6-12(15)13-10-7-8-11(9-10)14(13,2)3/h10-11,13H,4-9H2,1-3H3/t10-,11-,13-/m0/s1 |
| InChIKey | QIAIXVDDNZTBKB-GVXVVHGQSA-N |
| Mol Weight | 208.34 g/mol |
| Molecular Formula | C14H24O |
| Exact Mass | 208.182715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HadovW4km8s |
|---|---|
| Name | 1-(3,3-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1-pentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.182715392 u |
| Formula | C14H24O |
| InChI | InChI=1S/C14H24O/c1-4-5-6-12(15)13-10-7-8-11(9-10)14(13,2)3/h10-11,13H,4-9H2,1-3H3/t10-,11-,13-/m0/s1 |
| InChIKey | QIAIXVDDNZTBKB-GVXVVHGQSA-N |
| Molecular Weight | 208.345 g/mol |
| SMILES | C1([C@@]([C@@]2(C[C@@]1(CC2)[H])[H])(C(=O)CCCC)[H])(C)C |