| SpectraBase Compound ID | CDwWigVBSIV |
|---|---|
| InChI | InChI=1S/C23H31NO2/c25-23(26-20-22-16-12-18-24-19-22)17-11-6-4-2-1-3-5-8-13-21-14-9-7-10-15-21/h7,9-10,12,14-16,18-19H,1-6,8,11,13,17,20H2 |
| InChIKey | HNQRPMWCMZEEKJ-UHFFFAOYSA-N |
| Mol Weight | 353.51 g/mol |
| Molecular Formula | C23H31NO2 |
| Exact Mass | 353.235479 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AEfVTSLxZN0 |
|---|---|
| Name | Picolinyl 11-phenyl-undecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.235479240 u |
| Formula | C23H31NO2 |
| InChI | InChI=1S/C23H31NO2/c25-23(26-20-22-16-12-18-24-19-22)17-11-6-4-2-1-3-5-8-13-21-14-9-7-10-15-21/h7,9-10,12,14-16,18-19H,1-6,8,11,13,17,20H2 |
| InChIKey | HNQRPMWCMZEEKJ-UHFFFAOYSA-N |
| Molecular Weight | 353.506 g/mol |
| SMILES | C1=CN=CC(=C1)COC(CCCCCCCCCCC1=CC=CC=C1)=O |