| SpectraBase Compound ID | 8iLTfja24jY |
|---|---|
| InChI | InChI=1S/C12H12O/c1-9-8-12(9,10(2)13)11-6-4-3-5-7-11/h3-7H,1,8H2,2H3 |
| InChIKey | KYFDDNDUNSSTKS-UHFFFAOYSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C12H12O |
| Exact Mass | 172.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | j9zbJ2WAZS |
|---|---|
| Name | Cyclopropane, 1-acetyl-2-methylene-1-phenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.088815005 u |
| Formula | C12H12O |
| InChI | InChI=1S/C12H12O/c1-9-8-12(9,10(2)13)11-6-4-3-5-7-11/h3-7H,1,8H2,2H3 |
| InChIKey | KYFDDNDUNSSTKS-UHFFFAOYSA-N |
| Molecular Weight | 172.227 g/mol |
| SMILES | C1=CC=CC(=C1)C1(C(=C)C1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928364 |