| SpectraBase Compound ID | 1P0m9TLJekx |
|---|---|
| InChI | InChI=1S/C11H12O/c1-3-10-5-4-6-11(8-10)7-9(2)12/h3-6,8H,1,7H2,2H3 |
| InChIKey | FCKBIPLWJLUPLQ-UHFFFAOYSA-N |
| Mol Weight | 160.22 g/mol |
| Molecular Formula | C11H12O |
| Exact Mass | 160.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6huOJHN9I4N |
|---|---|
| Name | m-Vinyl benzyl methyl ketone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.088815005 u |
| Formula | C11H12O |
| InChI | InChI=1S/C11H12O/c1-3-10-5-4-6-11(8-10)7-9(2)12/h3-6,8H,1,7H2,2H3 |
| InChIKey | FCKBIPLWJLUPLQ-UHFFFAOYSA-N |
| Molecular Weight | 160.216 g/mol |
| SMILES | C(=O)(C)CC=1C=C(C=CC1)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869348 |