SpectraBase Compound ID | DvZ4KIiGndd |
---|---|
InChI | InChI=1S/C12H14O2/c1-8(2)10-6-5-7-11(14-4)12(10)9(3)13/h5-7H,1H2,2-4H3 |
InChIKey | DYIBSBJHPMTLQI-UHFFFAOYSA-N |
Mol Weight | 190.24 g/mol |
Molecular Formula | C12H14O2 |
Exact Mass | 190.09938 g/mol |
SpectraBase Spectrum ID | 83B0JcIqbWQ |
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Name | 1-[2-Methoxy-6-(1-methylvinyl)phenyl]ethanone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 190.099379689 u |
Formula | C12H14O2 |
InChI | InChI=1S/C12H14O2/c1-8(2)10-6-5-7-11(14-4)12(10)9(3)13/h5-7H,1H2,2-4H3 |
InChIKey | DYIBSBJHPMTLQI-UHFFFAOYSA-N |
Molecular Weight | 190.242 g/mol |
SMILES | C1=CC=C(C(=C)C)C(=C1OC)C(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841813 |