| SpectraBase Compound ID | KHgu6bsUek3 |
|---|---|
| InChI | InChI=1S/C12H14O2/c1-9(13)7-11-3-5-12(6-4-11)8-10(2)14/h3-6H,7-8H2,1-2H3 |
| InChIKey | BTNPTEDWMCDWAH-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 | LsUzbON4saM |
|---|---|
| Name | 1-(4-Acetonylphenyl)acetone |
| 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/c1-9(13)7-11-3-5-12(6-4-11)8-10(2)14/h3-6H,7-8H2,1-2H3 |
| InChIKey | BTNPTEDWMCDWAH-UHFFFAOYSA-N |
| Molecular Weight | 190.242 g/mol |
| SMILES | C(=O)(CC1=CC=C(CC(=O)C)C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.905337 |