| SpectraBase Compound ID | 255jExtMakz |
|---|---|
| InChI | InChI=1S/C11H10O2/c1-8-4-2-3-5-9(8)10-6-7-13-11(10)12/h2-6H,7H2,1H3 |
| InChIKey | KRHOJJQSZUJOLQ-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C11H10O2 |
| Exact Mass | 174.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 50qXcqbBfHl |
|---|---|
| Name | 4-(2-Methylphenyl)-2H-furan-5-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/c1-8-4-2-3-5-9(8)10-6-7-13-11(10)12/h2-6H,7H2,1H3 |
| InChIKey | KRHOJJQSZUJOLQ-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C1(OCC=C1C=1C(=CC=CC1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981134 |