| SpectraBase Compound ID | HjEdZW1Jap7 |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-7(2)6-8(11)9(12)10(3,4)5/h6,9,12H,1-5H3 |
| InChIKey | PDCPZYAJTWBJMY-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2BR8KOr5ju2 |
|---|---|
| Name | 2,6,6-Trimethyl-5-oxidanyl-hept-2-en-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-7(2)6-8(11)9(12)10(3,4)5/h6,9,12H,1-5H3 |
| InChIKey | PDCPZYAJTWBJMY-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(C=C(C)C)(C(C(C)(C)C)O)=O |