SpectraBase Compound ID | 6oXFPuES1Qc |
---|---|
InChI | InChI=1S/C11H10O2/c12-11-8-4-7-10(13-11)9-5-2-1-3-6-9/h1-6,8,10H,7H2 |
InChIKey | DXDFWARJUVHCOL-UHFFFAOYSA-N |
Mol Weight | 174.2 g/mol |
Molecular Formula | C11H10O2 |
Exact Mass | 174.06808 g/mol |
SpectraBase Spectrum ID | AykRHi2BJ5c |
---|---|
Name | 5,6-Dihydro-6-phenyl-2H-pyran-2-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 174.068079560 u |
Formula | C11H10O2 |
InChI | InChI=1S/C11H10O2/c12-11-8-4-7-10(13-11)9-5-2-1-3-6-9/h1-6,8,10H,7H2 |
InChIKey | DXDFWARJUVHCOL-UHFFFAOYSA-N |
Molecular Weight | 174.199 g/mol |
SMILES | C=1C(OC(CC1)C=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Raman) | 0.953627 |