| SpectraBase Compound ID | 90BaUjJ4VnD |
|---|---|
| InChI | InChI=1S/C12H17BO2/c1-10-4-6-11(7-5-10)13-14-8-12(2,3)9-15-13/h4-7H,8-9H2,1-3H3 |
| InChIKey | ZSPBWRPQSPRISS-UHFFFAOYSA-N |
| Mol Weight | 204.1 g/mol |
| Molecular Formula | C12H17BO2 |
| Exact Mass | 204.13216 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eh5d1qWD26S |
|---|---|
| Name | 4-Methylbenzeneboronic acid neopentyl glycol ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.132159955 u |
| Formula | C12H17BO2 |
| InChI | InChI=1S/C12H17BO2/c1-10-4-6-11(7-5-10)13-14-8-12(2,3)9-15-13/h4-7H,8-9H2,1-3H3 |
| InChIKey | ZSPBWRPQSPRISS-UHFFFAOYSA-N |
| Molecular Weight | 204.076 g/mol |
| SMILES | C=1C(=CC=C(C1)C)B1OCC(CO1)(C)C |