| SpectraBase Compound ID | GpI1i0iit77 |
|---|---|
| InChI | InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8,12H,1,9H2,2-4H3/b7-6+ |
| InChIKey | YKVWPZJHENXDAJ-VOTSOKGWSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9DPUh7LAe6s |
|---|---|
| Name | Megastigmatrienone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8,12H,1,9H2,2-4H3/b7-6+ |
| InChIKey | YKVWPZJHENXDAJ-VOTSOKGWSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | CC1(C)C(C(C)=CC(=O)C1)\C=C\C=C |