| SpectraBase Compound ID | 8agP1rqeUWT |
|---|---|
| InChI | InChI=1S/C17H29BO3/c1-16(2)17(3,4)21-18(20-16)12-7-5-6-9-14-10-8-11-15(19)13-14/h13H,5-12H2,1-4H3 |
| InChIKey | QXBYBHXMGRAIAR-UHFFFAOYSA-N |
| Mol Weight | 292.2 g/mol |
| Molecular Formula | C17H29BO3 |
| Exact Mass | 292.220975 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DWlGv17lfVh |
|---|---|
| Name | Pipacol 5-(3-Oxocyclohexenyl)boronate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H29BO3 |
| InChI | InChI=1S/C17H29BO3/c1-16(2)17(3,4)21-18(20-16)12-7-5-6-9-14-10-8-11-15(19)13-14/h13H,5-12H2,1-4H3 |
| InChIKey | QXBYBHXMGRAIAR-UHFFFAOYSA-N |
| Molecular Weight | 292.226 g/mol |
| SMILES | C1(OB(OC1(C)C)CCCCCC1=CC(=O)CCC1)(C)C |
| SPLASH | splash10-0006-9400000000-a63157abfbf4b37b9240 |
| Source of Spectrum | J-61-8238-27 |
| Wiley ID | 1295634 |