| SpectraBase Compound ID | CGN5ELhK2VB |
|---|---|
| InChI | InChI=1S/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)15-8-6-5-7-14(15)13-19-9-11-20-12-10-19/h5-8H,9-13H2,1-4H3 |
| InChIKey | WCNXVDLZTGODQW-UHFFFAOYSA-N |
| Mol Weight | 303.2 g/mol |
| Molecular Formula | C17H26BNO3 |
| Exact Mass | 303.200574 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rlQ0885Wqd |
|---|---|
| Name | 2-(4-Morpholinylmethyl)benzeneboronic acid pinacol ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.200573868 u |
| Formula | C17H26BNO3 |
| InChI | InChI=1S/C17H26BNO3/c1-16(2)17(3,4)22-18(21-16)15-8-6-5-7-14(15)13-19-9-11-20-12-10-19/h5-8H,9-13H2,1-4H3 |
| InChIKey | WCNXVDLZTGODQW-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC=C1)B1OC(C(O1)(C)C)(C)C)CN1CCOCC1 |