| SpectraBase Compound ID | 3zkpRGk0nOo |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-10(13)9-12(14)8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3 |
| InChIKey | XDIAMGPBIBHHPF-UHFFFAOYSA-N |
| Mol Weight | 190.24 g/mol |
| Molecular Formula | C12H14O2 |
| Exact Mass | 190.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G9jStCmYejn |
|---|---|
| Name | 2,4-Hexanedione, 6-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.099379689 u |
| Formula | C12H14O2 |
| InChI | InChI=1S/C12H14O2/c1-10(13)9-12(14)8-7-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3 |
| InChIKey | XDIAMGPBIBHHPF-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C1=CC=C(C=C1)CCC(CC(C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851651 |