| SpectraBase Compound ID | 52BapLJN65r |
|---|---|
| InChI | InChI=1S/C16H16O/c1-2-8-16(17)15-12-7-6-11-14(15)13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3 |
| InChIKey | QFNBEXJEBVFJLI-UHFFFAOYSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C16H16O |
| Exact Mass | 224.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JC6MSz5Q2Mh |
|---|---|
| Name | 1-(Biphenyl-2-yl)butan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.120115134 u |
| Formula | C16H16O |
| InChI | InChI=1S/C16H16O/c1-2-8-16(17)15-12-7-6-11-14(15)13-9-4-3-5-10-13/h3-7,9-12H,2,8H2,1H3 |
| InChIKey | QFNBEXJEBVFJLI-UHFFFAOYSA-N |
| Molecular Weight | 224.303 g/mol |
| SMILES | C=1(C(C2=CC=CC=C2)=CC=CC1)C(=O)CCC |