| SpectraBase Compound ID | CdMR7acPQZ0 |
|---|---|
| InChI | InChI=1S/C19H31NO/c1-3-5-11-17(4-2)16-20-19(21)15-10-9-14-18-12-7-6-8-13-18/h6-8,12-13,17H,3-5,9-11,14-16H2,1-2H3,(H,20,21) |
| InChIKey | JJQZZOLIXOPOGZ-UHFFFAOYSA-N |
| Mol Weight | 289.46 g/mol |
| Molecular Formula | C19H31NO |
| Exact Mass | 289.240565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HdKPixw2pRb |
|---|---|
| Name | Valeramide, 5-phenyl-N-2-ethylhexyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.240564621 u |
| Formula | C19H31NO |
| InChI | InChI=1S/C19H31NO/c1-3-5-11-17(4-2)16-20-19(21)15-10-9-14-18-12-7-6-8-13-18/h6-8,12-13,17H,3-5,9-11,14-16H2,1-2H3,(H,20,21) |
| InChIKey | JJQZZOLIXOPOGZ-UHFFFAOYSA-N |
| Molecular Weight | 289.463 g/mol |
| SMILES | C(=O)(NCC(CCCC)CC)CCCCC1=CC=CC=C1 |