| SpectraBase Compound ID | 8OisoGQg0iA |
|---|---|
| InChI | InChI=1S/C12H14O/c1-8(2)12(13)11-7-9(3)5-6-10(11)4/h5-7H,1H2,2-4H3 |
| InChIKey | TVKUSGOSSOMUIR-UHFFFAOYSA-N |
| Mol Weight | 174.24 g/mol |
| Molecular Formula | C12H14O |
| Exact Mass | 174.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EHUUCD6sBkc |
|---|---|
| Name | Acrylophenone, 2,2',5'-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.104465070 u |
| Formula | C12H14O |
| InChI | InChI=1S/C12H14O/c1-8(2)12(13)11-7-9(3)5-6-10(11)4/h5-7H,1H2,2-4H3 |
| InChIKey | TVKUSGOSSOMUIR-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C(C(=O)C1=C(C)C=CC(=C1)C)(C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809063 |