| SpectraBase Compound ID | ASii7HHZ1Iy |
|---|---|
| InChI | InChI=1S/C13H18O/c1-3-4-13(10-14)9-12-7-5-11(2)6-8-12/h5-8,10,13H,3-4,9H2,1-2H3 |
| InChIKey | XBXWPUMKZBXADW-UHFFFAOYSA-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 | EB9pGAWEu7t |
|---|---|
| Name | Benzenepropanal, 4-methyl-alpha-propyl- |
| 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/c1-3-4-13(10-14)9-12-7-5-11(2)6-8-12/h5-8,10,13H,3-4,9H2,1-2H3 |
| InChIKey | XBXWPUMKZBXADW-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | C1(=CC=C(C=C1)C)CC(CCC)C=O |