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3-(4-Nitrophenyl)cyclohexan-1-one
SpectraBase Compound ID 92tFUMoeRC7
InChI InChI=1S/C12H13NO3/c14-12-3-1-2-10(8-12)9-4-6-11(7-5-9)13(15)16/h4-7,10H,1-3,8H2
InChIKey XFZRVESZXNYATJ-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6seDiWmfVR
Name 3-(4-Nitrophenyl)cyclohexan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c14-12-3-1-2-10(8-12)9-4-6-11(7-5-9)13(15)16/h4-7,10H,1-3,8H2
InChIKey XFZRVESZXNYATJ-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5SC01636C
Molecular Weight 219.240 g/mol
SMILES C1(CC(CCC1)c1ccc(cc1)[N+](=O)[O-])=O
SPLASH splash10-00or-2960000000-34dbab69bfe234b9b13f
Source of Spectrum CSS-6-5491/SM17-3d
Wiley ID 1801050