| SpectraBase Compound ID | BcofbeK2mSM |
|---|---|
| InChI | InChI=1S/C24H50BNO2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-24-23(26-6-3)22-27-25(28-24)21-8-5-2/h23-24,26H,4-22H2,1-3H3 |
| InChIKey | VYZYFLUGVYBYFZ-UHFFFAOYSA-N |
| Mol Weight | 395.5 g/mol |
| Molecular Formula | C24H50BNO2 |
| Exact Mass | 395.39346 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5w79Xy3Y9W7 |
|---|---|
| Name | N-Ethyl-2-amino-octadecan-1,3-diol butaneboronate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 395.393460022 u |
| Formula | C24H50BNO2 |
| InChI | InChI=1S/C24H50BNO2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-24-23(26-6-3)22-27-25(28-24)21-8-5-2/h23-24,26H,4-22H2,1-3H3 |
| InChIKey | VYZYFLUGVYBYFZ-UHFFFAOYSA-N |
| Molecular Weight | 395.479 g/mol |
| SMILES | C(C1C(COB(O1)CCCC)NCC)CCCCCCCCCCCCCC |