| SpectraBase Compound ID | 4ml1arF5nkX |
|---|---|
| InChI | InChI=1S/C13H22O/c1-10(2)6-8-13(12(5)14)9-7-11(3)4/h6-7,13H,8-9H2,1-5H3 |
| InChIKey | XQRBPMRCHFTCNL-UHFFFAOYSA-N |
| Mol Weight | 194.32 g/mol |
| Molecular Formula | C13H22O |
| Exact Mass | 194.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GyVcUCWJvRR |
|---|---|
| Name | 6-Methyl-3-(3-methylbut-2-en-1-yl)hept-5-en-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.167065327 u |
| Formula | C13H22O |
| InChI | InChI=1S/C13H22O/c1-10(2)6-8-13(12(5)14)9-7-11(3)4/h6-7,13H,8-9H2,1-5H3 |
| InChIKey | XQRBPMRCHFTCNL-UHFFFAOYSA-N |
| Molecular Weight | 194.318 g/mol |
| SMILES | C(=O)(C(CC=C(C)C)CC=C(C)C)C |