| SpectraBase Spectrum ID |
BUPZ16hbXy5 |
| Name |
2-(3'-Phenyl-3'-oxo-propyl)-cyclopentanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.115029753 u |
| Formula |
C14H16O2 |
| InChI |
InChI=1S/C14H16O2/c15-13-8-4-7-12(13)9-10-14(16)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2 |
| InChIKey |
FIZQWELVEKVTOO-UHFFFAOYSA-N |
| Molecular Weight |
216.280 g/mol |
| SMILES |
C1(CCCC1=O)CCC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822994 |
