![(2S)-2-[benzyl(4-methylpent-3-enyl)amino]-4-methyl-pentanal](/api/spectrum/LNZyrUFM8xQ/structure.png?h=300&w=458 "(2S)-2-[benzyl(4-methylpent-3-enyl)amino]-4-methyl-pentanal")
| SpectraBase Compound ID | BBZ3CnphMmS |
|---|---|
| InChI | InChI=1S/C19H29NO/c1-16(2)9-8-12-20(19(15-21)13-17(3)4)14-18-10-6-5-7-11-18/h5-7,9-11,15,17,19H,8,12-14H2,1-4H3/t19-/m0/s1 |
| InChIKey | IYJGZYOXOXWECR-IBGZPJMESA-N |
| Mol Weight | 287.45 g/mol |
| Molecular Formula | C19H29NO |
| Exact Mass | 287.224915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LNZyrUFM8xQ |
|---|---|
| Name | (2S)-2-[Benzyl(4-methylpent-3-enyl)amino]-4-methyl-pentanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.224914557 u |
| Formula | C19H29NO |
| InChI | InChI=1S/C19H29NO/c1-16(2)9-8-12-20(19(15-21)13-17(3)4)14-18-10-6-5-7-11-18/h5-7,9-11,15,17,19H,8,12-14H2,1-4H3/t19-/m0/s1 |
| InChIKey | IYJGZYOXOXWECR-IBGZPJMESA-N |
| SMILES | [C@@](N(CC=1C=CC=CC1)CCC=C(C)C)(CC(C)C)(C=O)[H] |