| SpectraBase Compound ID | EOjw7jJ86or |
|---|---|
| InChI | InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h4,6,10-12,14,20H,5,7-9,13H2,1-3H3,(H,19,21)/b6-4+ |
| InChIKey | BFPOVVHEVPPDOY-GQCTYLIASA-N |
| Mol Weight | 305.42 g/mol |
| Molecular Formula | C18H27NO3 |
| Exact Mass | 305.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1s2PjLEyD2Y |
|---|---|
| Name | (E)-N-(4-Hydroxy-3-methoxybenzyl)-8-methyl-5-nonenamide (capsaicin I) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.199093730 u |
| Formula | C18H27NO3 |
| InChI | InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h4,6,10-12,14,20H,5,7-9,13H2,1-3H3,(H,19,21)/b6-4+ |
| InChIKey | BFPOVVHEVPPDOY-GQCTYLIASA-N |
| Molecular Weight | 305.418 g/mol |
| SMILES | C=1(C(=CC=C(C1)CNC(=O)CCC\C=C\CC(C)C)O)OC |