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(R)-4-Hydroxy-4-(3-nitrophenyl)butan-2-one

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(R)-4-Hydroxy-4-(3-nitrophenyl)butan-2-one
SpectraBase Compound ID Jnb6YABOCiF
InChI InChI=1S/C10H11NO4/c1-7(12)5-10(13)8-3-2-4-9(6-8)11(14)15/h2-4,6,10,13H,5H2,1H3
InChIKey WZQGCDFQYQNOJP-UHFFFAOYSA-N
Mol Weight 209.2 g/mol
Molecular Formula C10H11NO4
Exact Mass 209.068808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6coH5uCYfl
Name (R)-4-Hydroxy-4-(3-nitrophenyl)butan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 209.068807834 u
Formula C10H11NO4
InChI InChI=1S/C10H11NO4/c1-7(12)5-10(13)8-3-2-4-9(6-8)11(14)15/h2-4,6,10,13H,5H2,1H3
InChIKey WZQGCDFQYQNOJP-UHFFFAOYSA-N
Molecular Weight 209.201 g/mol
SMILES C=1(N(=O)=O)C=C(C(CC(=O)C)O)C=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.919674