SpectraBase Compound ID | 9L2BUIXULBs |
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InChI | InChI=1S/C14H12O3/c15-11-6-7-12(14(17)9-11)13(16)8-10-4-2-1-3-5-10/h1-7,9,15,17H,8H2 |
InChIKey | VFQKAJVKZKHVPD-UHFFFAOYSA-N |
Mol Weight | 228.25 g/mol |
Molecular Formula | C14H12O3 |
Exact Mass | 228.078644 g/mol |
SpectraBase Spectrum ID | 2YHuIzVgFyM |
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Name | 2',4'-Dihydroxy-2-phenylacetophenone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 228.078644243 u |
Formula | C14H12O3 |
InChI | InChI=1S/C14H12O3/c15-11-6-7-12(14(17)9-11)13(16)8-10-4-2-1-3-5-10/h1-7,9,15,17H,8H2 |
InChIKey | VFQKAJVKZKHVPD-UHFFFAOYSA-N |
Molecular Weight | 228.247 g/mol |
SMILES | OC1=CC=C(C(=C1)O)C(CC=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Raman) | 0.9285 |