![2-{2-[(cyclooctylamino)methyl]phenoxy}-N-(2-methoxyphenyl)acetamide](/api/spectrum/JYINjcvPL9B/structure.png?h=300&w=458 "2-{2-[(cyclooctylamino)methyl]phenoxy}-N-(2-methoxyphenyl)acetamide")
| SpectraBase Compound ID | L50uCYuvOUQ |
|---|---|
| InChI | InChI=1S/C24H32N2O3/c1-28-23-16-10-8-14-21(23)26-24(27)18-29-22-15-9-7-11-19(22)17-25-20-12-5-3-2-4-6-13-20/h7-11,14-16,20,25H,2-6,12-13,17-18H2,1H3,(H,26,27) |
| InChIKey | VFLYEHRZTRWZSM-UHFFFAOYSA-N |
| Mol Weight | 396.5 g/mol |
| Molecular Formula | C24H32N2O3 |
| Exact Mass | 396.241293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JYINjcvPL9B |
|---|---|
| Name | 2-{2-[(Cyclooctylamino)methyl]phenoxy}-N-(2-methoxyphenyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.241292895 u |
| Formula | C24H32N2O3 |
| InChI | InChI=1S/C24H32N2O3/c1-28-23-16-10-8-14-21(23)26-24(27)18-29-22-15-9-7-11-19(22)17-25-20-12-5-3-2-4-6-13-20/h7-11,14-16,20,25H,2-6,12-13,17-18H2,1H3,(H,26,27) |
| InChIKey | VFLYEHRZTRWZSM-UHFFFAOYSA-N |
| Molecular Weight | 396.531 g/mol |
| SMILES | N(CC1=C(OCC(NC2=C(OC)C=CC=C2)=O)C=CC=C1)C1CCCCCCC1 |