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Cyclohexyl o-nitrophenyl sulfone

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

Cyclohexyl o-nitrophenyl sulfone
SpectraBase Compound ID 3Oej5lftn4R
InChI InChI=1S/C12H15NO4S/c14-13(15)11-8-4-5-9-12(11)18(16,17)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKey YVPHZYRYGLEPOE-UHFFFAOYSA-N
Mol Weight 269.31 g/mol
Molecular Formula C12H15NO4S
Exact Mass 269.072179 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JkJ5QdI49J
Name Cyclohexyl o-nitrophenyl sulfone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.072179137 u
Formula C12H15NO4S
InChI InChI=1S/C12H15NO4S/c14-13(15)11-8-4-5-9-12(11)18(16,17)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKey YVPHZYRYGLEPOE-UHFFFAOYSA-N
Molecular Weight 269.315 g/mol
SMILES N(=O)(=O)C1=CC=CC=C1S(=O)(=O)C1CCCCC1
Spectrum/Structure Validation Score (Raman) 0.842524