| SpectraBase Compound ID | Kvnu5RauNeD |
|---|---|
| InChI | InChI=1S/C13H22O/c1-2-3-7-13(10-11-14)12-8-5-4-6-9-12/h8,11,13H,2-7,9-10H2,1H3 |
| InChIKey | JQQKRVIUZGIZFD-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 | Caw4I2M2uXs |
|---|---|
| Name | 3-(Cyclohex-1-en-1-yl)heptanal |
| 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/c1-2-3-7-13(10-11-14)12-8-5-4-6-9-12/h8,11,13H,2-7,9-10H2,1H3 |
| InChIKey | JQQKRVIUZGIZFD-UHFFFAOYSA-N |
| Molecular Weight | 194.318 g/mol |
| SMILES | C(CC(CCCC)C1=CCCCC1)=O |