| SpectraBase Compound ID | 5o1nGO3qJuz |
|---|---|
| InChI | InChI=1S/C15H20O/c1-11(2)14(8-9-16)10-15-12(3)6-5-7-13(15)4/h5-7,9,14H,1,8,10H2,2-4H3/t14-/m1/s1 |
| InChIKey | HJAQVLMHPGDPBK-CQSZACIVSA-N |
| Mol Weight | 216.32 g/mol |
| Molecular Formula | C15H20O |
| Exact Mass | 216.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5G1Cjf7Geda |
|---|---|
| Name | (S)-3-(2,6-Dimethylbenzyl)-4-methylpent-4-enal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.151415263 u |
| Formula | C15H20O |
| InChI | InChI=1S/C15H20O/c1-11(2)14(8-9-16)10-15-12(3)6-5-7-13(15)4/h5-7,9,14H,1,8,10H2,2-4H3/t14-/m1/s1 |
| InChIKey | HJAQVLMHPGDPBK-CQSZACIVSA-N |
| Molecular Weight | 216.324 g/mol |
| SMILES | C=1(C[C@](C(=C)C)(CC=O)[H])C(=CC=CC1C)C |