| SpectraBase Compound ID | E5657kuVOdg |
|---|---|
| InChI | InChI=1S/C12H14O/c1-3-11-6-4-5-7-12(11)9-8-10(2)13/h3-7H,1,8-9H2,2H3 |
| InChIKey | CMENVVZXLOWEQQ-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 | 62V3zOVcha6 |
|---|---|
| Name | 2-Butanone, 4-(ethenylphenyl)- |
| 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/c1-3-11-6-4-5-7-12(11)9-8-10(2)13/h3-7H,1,8-9H2,2H3 |
| InChIKey | CMENVVZXLOWEQQ-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C=1(C(CCC(=O)C)=CC=CC1)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939664 |