SpectraBase Compound ID | Kzn1wes1afD |
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InChI | InChI=1S/C9H10O2/c1-6-4-3-5-8(7(2)10)9(6)11/h3-5,11H,1-2H3 |
InChIKey | GUGXENROMIJRPN-UHFFFAOYSA-N |
Mol Weight | 150.18 g/mol |
Molecular Formula | C9H10O2 |
Exact Mass | 150.06808 g/mol |
SpectraBase Spectrum ID | ASTo54A08S6 |
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Name | 2'-Hydroxy-3'-methylacetophenone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 150.068079560 u |
Formula | C9H10O2 |
InChI | InChI=1S/C9H10O2/c1-6-4-3-5-8(7(2)10)9(6)11/h3-5,11H,1-2H3 |
InChIKey | GUGXENROMIJRPN-UHFFFAOYSA-N |
Molecular Weight | 150.177 g/mol |
SMILES | OC1=C(C)C=CC=C1C(=O)C |
Spectrum/Structure Validation Score (Raman) | 0.92069 |