| SpectraBase Compound ID | 4SvFeZg2BDH |
|---|---|
| InChI | InChI=1S/C17H18O3/c1-11-4-6-16(19)14(8-11)10-15-9-12(2)5-7-17(15)20-13(3)18/h4-9,19H,10H2,1-3H3 |
| InChIKey | UANKGPXNOVKRKN-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C17H18O3 |
| Exact Mass | 270.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 91SJC1CuQ6L |
|---|---|
| Name | 4,4'-Dimethyl-2,2'-methylenediphenol, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.125594437 u |
| Formula | C17H18O3 |
| InChI | InChI=1S/C17H18O3/c1-11-4-6-16(19)14(8-11)10-15-9-12(2)5-7-17(15)20-13(3)18/h4-9,19H,10H2,1-3H3 |
| InChIKey | UANKGPXNOVKRKN-UHFFFAOYSA-N |
| SMILES | C1(OC(C)=O)=C(C=C(C=C1)C)CC1=C(C=CC(=C1)C)O |