| SpectraBase Compound ID | 9FFL8LCrqBa |
|---|---|
| InChI | InChI=1S/C22H37NO/c1-4-7-9-10-14-18-23(19-20-15-12-11-13-16-20)22(24)21(6-3)17-8-5-2/h11-13,15-16,21H,4-10,14,17-19H2,1-3H3 |
| InChIKey | LQVRCPWXETXSAO-UHFFFAOYSA-N |
| Mol Weight | 331.5 g/mol |
| Molecular Formula | C22H37NO |
| Exact Mass | 331.287515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LQRIEzyoTOY |
|---|---|
| Name | Hexanoylamide, 2-ethyl-N-benzyl-N-heptyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.287514814 u |
| Formula | C22H37NO |
| InChI | InChI=1S/C22H37NO/c1-4-7-9-10-14-18-23(19-20-15-12-11-13-16-20)22(24)21(6-3)17-8-5-2/h11-13,15-16,21H,4-10,14,17-19H2,1-3H3 |
| InChIKey | LQVRCPWXETXSAO-UHFFFAOYSA-N |
| Molecular Weight | 331.544 g/mol |
| SMILES | C(N(CCCCCCC)CC1=CC=CC=C1)(=O)C(CC)CCCC |