SpectraBase Compound ID | 4Y75ug35eXX |
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InChI | InChI=1S/C10H12O2/c1-3-9(11)8-4-5-10(12)7(2)6-8/h4-6,12H,3H2,1-2H3 |
InChIKey | ADTNKEULTSFHKS-UHFFFAOYSA-N |
Mol Weight | 164.2 g/mol |
Molecular Formula | C10H12O2 |
Exact Mass | 164.08373 g/mol |
SpectraBase Spectrum ID | 1MGciBExkFU |
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Name | 4'-Hydroxy-3'-methylpropiophenone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 164.083729624 u |
Formula | C10H12O2 |
InChI | InChI=1S/C10H12O2/c1-3-9(11)8-4-5-10(12)7(2)6-8/h4-6,12H,3H2,1-2H3 |
InChIKey | ADTNKEULTSFHKS-UHFFFAOYSA-N |
Molecular Weight | 164.204 g/mol |
SMILES | OC=1C(=CC(=CC1)C(CC)=O)C |
Spectrum/Structure Validation Score (Raman) | 0.954338 |