| SpectraBase Compound ID | Heptkll07lc |
|---|---|
| InChI | InChI=1S/C22H37NO/c1-2-3-4-5-6-7-8-9-15-20-23-22(24)19-14-13-18-21-16-11-10-12-17-21/h10-12,16-17H,2-9,13-15,18-20H2,1H3,(H,23,24) |
| InChIKey | YKPGIUNAVIQAHD-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 | 8yniLXTxpJs |
|---|---|
| Name | Valeramide, 5-phenyl-N-undecyl- |
| 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/c1-2-3-4-5-6-7-8-9-15-20-23-22(24)19-14-13-18-21-16-11-10-12-17-21/h10-12,16-17H,2-9,13-15,18-20H2,1H3,(H,23,24) |
| InChIKey | YKPGIUNAVIQAHD-UHFFFAOYSA-N |
| Molecular Weight | 331.544 g/mol |
| SMILES | C(=O)(NCCCCCCCCCCC)CCCCC1=CC=CC=C1 |