SpectraBase Compound ID | K1q3ufBnyvw |
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InChI | InChI=1S/C10H12O3/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6,11H,3H2,1-2H3 |
InChIKey | VZONHROZKCUBKK-UHFFFAOYSA-N |
Mol Weight | 180.2 g/mol |
Molecular Formula | C10H12O3 |
Exact Mass | 180.078644 g/mol |
SpectraBase Spectrum ID | 7fvhRzU47K6 |
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Name | 4'-Hydroxy-2'-methoxypropiophenone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 180.078644243 u |
Formula | C10H12O3 |
InChI | InChI=1S/C10H12O3/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6,11H,3H2,1-2H3 |
InChIKey | VZONHROZKCUBKK-UHFFFAOYSA-N |
Molecular Weight | 180.203 g/mol |
SMILES | OC=1C=CC(=C(C1)OC)C(CC)=O |
Spectrum/Structure Validation Score (Raman) | 0.959727 |