| SpectraBase Spectrum ID |
Hfgsx1v4bhw |
| Name |
1-(Biphenyl-2-yl)butan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898152 |
