| SpectraBase Compound ID | 9MRIeZ82qoZ |
|---|---|
| InChI | InChI=1S/C14H20O/c1-3-4-8-13(11-15)10-14-9-6-5-7-12(14)2/h5-7,9,11,13H,3-4,8,10H2,1-2H3 |
| InChIKey | XOIWKLRJACCSCF-UHFFFAOYSA-N |
| Mol Weight | 204.31 g/mol |
| Molecular Formula | C14H20O |
| Exact Mass | 204.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6MQahG2G1jb |
|---|---|
| Name | 2-(2-Methylbenzyl)hexanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.151415263 u |
| Formula | C14H20O |
| InChI | InChI=1S/C14H20O/c1-3-4-8-13(11-15)10-14-9-6-5-7-12(14)2/h5-7,9,11,13H,3-4,8,10H2,1-2H3 |
| InChIKey | XOIWKLRJACCSCF-UHFFFAOYSA-N |
| Molecular Weight | 204.313 g/mol |
| SMILES | C(C(CCCC)CC=1C(=CC=CC1)C)=O |