| SpectraBase Compound ID | EJZ0OTj6nup |
|---|---|
| InChI | InChI=1S/C20H24O3/c1-5-20(4,15-6-10-17(21)11-7-15)16-8-12-18(13-9-16)23-19(22)14(2)3/h6-14,21H,5H2,1-4H3 |
| InChIKey | UIEDVLVWFBRERX-UHFFFAOYSA-N |
| Mol Weight | 312.41 g/mol |
| Molecular Formula | C20H24O3 |
| Exact Mass | 312.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IK4rGL6FcBJ |
|---|---|
| Name | Bisphenol B, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.172544630 u |
| Formula | C20H24O3 |
| InChI | InChI=1S/C20H24O3/c1-5-20(4,15-6-10-17(21)11-7-15)16-8-12-18(13-9-16)23-19(22)14(2)3/h6-14,21H,5H2,1-4H3 |
| InChIKey | UIEDVLVWFBRERX-UHFFFAOYSA-N |
| Molecular Weight | 312.409 g/mol |
| SMILES | C(CC)(C)(C1=CC=C(C=C1)O)C1=CC=C(C=C1)OC(C(C)C)=O |