| SpectraBase Compound ID | CRb7SjIgvKY |
|---|---|
| InChI | InChI=1S/C13H22O/c1-11(2)10-13(8-9-14)12-6-4-3-5-7-12/h6,9,11,13H,3-5,7-8,10H2,1-2H3 |
| InChIKey | QOICSSBCSMEBHE-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 | KDcby50dbIV |
|---|---|
| Name | 3-(Cyclohex-1-en-1-yl)-5-methylhexanal |
| 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/c1-11(2)10-13(8-9-14)12-6-4-3-5-7-12/h6,9,11,13H,3-5,7-8,10H2,1-2H3 |
| InChIKey | QOICSSBCSMEBHE-UHFFFAOYSA-N |
| Molecular Weight | 194.318 g/mol |
| SMILES | C(CC(CC(C)C)C1=CCCCC1)=O |