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Cyclohexanecarboxylic acid, 2-hydroxy-2,3-dimethyl-3-nitro-6-oxo-, methyl ester
SpectraBase Compound ID 7xw9AO2hkfJ
InChI InChI=1S/C10H15NO6/c1-9(11(15)16)5-4-6(12)7(8(13)17-3)10(9,2)14/h7,14H,4-5H2,1-3H3
InChIKey XVAUMCYQKLMCBG-UHFFFAOYSA-N
Mol Weight 245.23 g/mol
Molecular Formula C10H15NO6
Exact Mass 245.089937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWQVNZgs6Na
Name Cyclohexanecarboxylic acid, 2-hydroxy-2,3-dimethyl-3-nitro-6-oxo-, methyl ester
CAS Registry Number 80213-48-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H15NO6
InChI InChI=1S/C10H15NO6/c1-9(11(15)16)5-4-6(12)7(8(13)17-3)10(9,2)14/h7,14H,4-5H2,1-3H3
InChIKey XVAUMCYQKLMCBG-UHFFFAOYSA-N
Molecular Weight 245.231 g/mol
SMILES OC1(C(N(=O)=O)(CCC(=O)C1C(=O)OC)C)C
SPLASH splash10-052f-9300000000-f4a066bd57b145f2982b
Source of Spectrum H-64-1862-0
Synonyms Methyl 2-hydroxy-2,3-dimethyl-3-nitro-6-oxocyclohexanecarboxylate Methylester of 2-hydroxy-2,3-dimethyl-3-nitro-6-oxocyclohexan-1-carboxylic acid
Wiley ID 1247773