![Methyl 2-methyl-4-[4-(benzoylphenyl)]butanoate](/api/spectrum/1O7E7GM2VR/structure.png?h=300&w=458 "Methyl 2-methyl-4-[4-(benzoylphenyl)]butanoate")
| SpectraBase Compound ID | 8Lt1siOSdFI |
|---|---|
| InChI | InChI=1S/C19H20O3/c1-14(19(21)22-2)8-9-15-10-12-17(13-11-15)18(20)16-6-4-3-5-7-16/h3-7,10-14H,8-9H2,1-2H3 |
| InChIKey | QBOCHIOYDSPULM-UHFFFAOYSA-N |
| Mol Weight | 296.37 g/mol |
| Molecular Formula | C19H20O3 |
| Exact Mass | 296.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1O7E7GM2VR |
|---|---|
| Name | Methyl 2-methyl-4-[4-(benzoylphenyl)]butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.141244501 u |
| Formula | C19H20O3 |
| InChI | InChI=1S/C19H20O3/c1-14(19(21)22-2)8-9-15-10-12-17(13-11-15)18(20)16-6-4-3-5-7-16/h3-7,10-14H,8-9H2,1-2H3 |
| InChIKey | QBOCHIOYDSPULM-UHFFFAOYSA-N |
| Molecular Weight | 296.366 g/mol |
| SMILES | C(C=1C=CC(=CC1)CCC(C(=O)OC)C)(=O)C1=CC=CC=C1 |