![N-[3-[[4-hydroxy-6-(2-hydroxy-6-methyl-phenyl)-6-keto-hexyl]amino]propyl]hexanamide](/api/spectrum/GgHpc5nbiqf/structure.png?h=300&w=458 "N-[3-[[4-hydroxy-6-(2-hydroxy-6-methyl-phenyl)-6-keto-hexyl]amino]propyl]hexanamide")
| SpectraBase Compound ID | 9Jrgjrz4F7E |
|---|---|
| InChI | InChI=1S/C22H36N2O4/c1-3-4-5-12-21(28)24-15-8-14-23-13-7-10-18(25)16-20(27)22-17(2)9-6-11-19(22)26/h6,9,11,18,23,25-26H,3-5,7-8,10,12-16H2,1-2H3,(H,24,28) |
| InChIKey | KZEDRVJROQHIMY-UHFFFAOYSA-N |
| Mol Weight | 392.5 g/mol |
| Molecular Formula | C22H36N2O4 |
| Exact Mass | 392.267508 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GgHpc5nbiqf |
|---|---|
| Name | N-[3-[[4-Hydroxy-6-(2-hydroxy-6-methyl-phenyl)-6-keto-hexyl]amino]propyl]hexanamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.267507643 u |
| Formula | C22H36N2O4 |
| InChI | InChI=1S/C22H36N2O4/c1-3-4-5-12-21(28)24-15-8-14-23-13-7-10-18(25)16-20(27)22-17(2)9-6-11-19(22)26/h6,9,11,18,23,25-26H,3-5,7-8,10,12-16H2,1-2H3,(H,24,28) |
| InChIKey | KZEDRVJROQHIMY-UHFFFAOYSA-N |
| Molecular Weight | 392.540 g/mol |
| SMILES | C(C=1C(O)=CC=CC1C)(CC(O)CCCNCCCNC(=O)CCCCC)=O |