| SpectraBase Compound ID | 15YuoHeCyDJ |
|---|---|
| InChI | InChI=1S/C12H14O/c1-3-10(2)12(13)9-11-7-5-4-6-8-11/h4-8H,2-3,9H2,1H3 |
| InChIKey | CQDGQOWSFOLXSA-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 | 4lI2SFtR7BC |
|---|---|
| Name | 2-Pentanone, 3-methylene-1-phenyl- |
| 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/c1-3-10(2)12(13)9-11-7-5-4-6-8-11/h4-8H,2-3,9H2,1H3 |
| InChIKey | CQDGQOWSFOLXSA-UHFFFAOYSA-N |
| Molecular Weight | 174.243 g/mol |
| SMILES | C(C(=C)CC)(CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934779 |