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3-METHYL-3-(1-NITROETHYL)-CYClOPENTANONE;DIASTEREOMER-#1
SpectraBase Compound ID Kfk4MGqKBca
InChI InChI=1S/C8H13NO3/c1-6(9(11)12)8(2)4-3-7(10)5-8/h6H,3-5H2,1-2H3
InChIKey XQKYXKBIGBXPAT-UHFFFAOYSA-N
Mol Weight 171.2 g/mol
Molecular Formula C8H13NO3
Exact Mass 171.089543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5NcxWDZGJhx
Name 3-METHYL-3-(1-NITROETHYL)-CYClOPENTANONE;DIASTEREOMER-#2
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H13NO3
InChI InChI=1S/C8H13NO3/c1-6(9(11)12)8(2)4-3-7(10)5-8/h6H,3-5H2,1-2H3
InChIKey XQKYXKBIGBXPAT-UHFFFAOYSA-N
Literature Reference Author K.E.BAILEY,B.R.DAVIS
Literature Reference Citation AUSTR.J.CHEM.,48,1827(1995)
Literature Reference DOI 10.1071/ch9951827
Molecular Weight 171.196 g/mol
Solvent CDCl3
Source File Reference UWCP278