| SpectraBase Compound ID | 2Y4pMZiUP5N |
|---|---|
| InChI | InChI=1S/C16H27NO4/c1-5-8-21-16-14(19-3)10-13(11-15(16)20-4)9-12(2)17-6-7-18/h10-12,17-18H,5-9H2,1-4H3 |
| InChIKey | AZFHIQSDGFSODE-UHFFFAOYSA-N |
| Mol Weight | 297.4 g/mol |
| Molecular Formula | C16H27NO4 |
| Exact Mass | 297.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HlSPkqxn2yi |
|---|---|
| Name | 3C-p N-Hydroxyethyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.194008349 u |
| Formula | C16H27NO4 |
| InChI | InChI=1S/C16H27NO4/c1-5-8-21-16-14(19-3)10-13(11-15(16)20-4)9-12(2)17-6-7-18/h10-12,17-18H,5-9H2,1-4H3 |
| InChIKey | AZFHIQSDGFSODE-UHFFFAOYSA-N |
| Molecular Weight | 297.395 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CC(NCCO)C)OC)OCCC |