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(R)-and (S)-3-Methyl-4-(4'-nitrophenyl)butan-2-one

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

(R)-and (S)-3-Methyl-4-(4'-nitrophenyl)butan-2-one
SpectraBase Compound ID AgjZkPW9nIN
InChI InChI=1S/C11H13NO3/c1-8(9(2)13)7-10-3-5-11(6-4-10)12(14)15/h3-6,8H,7H2,1-2H3
InChIKey NHFRZBQSUNGUJB-UHFFFAOYSA-N
Mol Weight 207.23 g/mol
Molecular Formula C11H13NO3
Exact Mass 207.089543 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4ycXFYfUXRl
Name (R)-and (S)-3-Methyl-4-(4'-nitrophenyl)butan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.089543280 u
Formula C11H13NO3
InChI InChI=1S/C11H13NO3/c1-8(9(2)13)7-10-3-5-11(6-4-10)12(14)15/h3-6,8H,7H2,1-2H3
InChIKey NHFRZBQSUNGUJB-UHFFFAOYSA-N
Molecular Weight 207.229 g/mol
SMILES C=1(N(=O)=O)C=CC(CC(C(=O)C)C)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938437