| SpectraBase Compound ID | GJKHRGxDswB |
|---|---|
| InChI | InChI=1S/C23H39NO/c1-6-7-8-9-13-16-24(19-21-14-11-10-12-15-21)22(25)17-20(2)18-23(3,4)5/h10-12,14-15,20H,6-9,13,16-19H2,1-5H3 |
| InChIKey | UZLDAWOKMPNVOE-UHFFFAOYSA-N |
| Mol Weight | 345.6 g/mol |
| Molecular Formula | C23H39NO |
| Exact Mass | 345.303165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BcAnLUWxcx6 |
|---|---|
| Name | Hexanamide, 3,5,5-trimethyl-N-benzyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.303164879 u |
| Formula | C23H39NO |
| InChI | InChI=1S/C23H39NO/c1-6-7-8-9-13-16-24(19-21-14-11-10-12-15-21)22(25)17-20(2)18-23(3,4)5/h10-12,14-15,20H,6-9,13,16-19H2,1-5H3 |
| InChIKey | UZLDAWOKMPNVOE-UHFFFAOYSA-N |
| Molecular Weight | 345.571 g/mol |
| SMILES | C(N(CCCCCCC)CC1=CC=CC=C1)(=O)CC(C)CC(C)(C)C |