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Cyclohexanone, 2-methyl-3-(nitromethyl)-
SpectraBase Compound ID I4Q25Mo4PMW
InChI InChI=1S/C8H13NO3/c1-6-7(5-9(11)12)3-2-4-8(6)10/h6-7H,2-5H2,1H3
InChIKey HNEVCSUHSRYOPW-UHFFFAOYSA-N
Mol Weight 171.2 g/mol
Molecular Formula C8H13NO3
Exact Mass 171.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBaPhtGz2KI
Name Cyclohexanone, 2-methyl-3-(nitromethyl)-
Alternate Name(s) 2-Methyl-3-(nitromethyl)cyclohexanone
CAS Registry Number 108946-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO3
InChI InChI=1S/C8H13NO3/c1-6-7(5-9(11)12)3-2-4-8(6)10/h6-7H,2-5H2,1H3
InChIKey HNEVCSUHSRYOPW-UHFFFAOYSA-N
Molecular Weight 171.196 g/mol
SMILES C(N(=O)=O)C1C(C(=O)CCC1)C
SPLASH splash10-05gj-9800000000-d3db293f7d27667649ca
Source of Spectrum K-120-1148-0
Wiley ID 1167876