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2,5-Dimethyl-2-nitro-1,3-cyclohexanediol
SpectraBase Compound ID C5wNz59svcm
InChI InChI=1S/C8H15NO4/c1-5-3-6(10)8(2,9(12)13)7(11)4-5/h5-7,10-11H,3-4H2,1-2H3
InChIKey ZTKJPCVDJILWQS-UHFFFAOYSA-N
Mol Weight 189.21 g/mol
Molecular Formula C8H15NO4
Exact Mass 189.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Id7jicMYPkW
Name 2,5-Dimethyl-2-nitro-1,3-cyclohexanediol
Alternate Name(s) 1,3-Cyclohexanediol, 2,5-dimethyl-2-nitro- 2,5-Dimethyl-2-nitro-cyclohexane-1,3-diol
CAS Registry Number 114454-79-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H15NO4
InChI InChI=1S/C8H15NO4/c1-5-3-6(10)8(2,9(12)13)7(11)4-5/h5-7,10-11H,3-4H2,1-2H3
InChIKey ZTKJPCVDJILWQS-UHFFFAOYSA-N
Molecular Weight 189.211 g/mol
SMILES OC1C(C(CC(C1)C)O)(N(=O)=O)C
SPLASH splash10-052f-9200000000-d3cb2c183bd75925d7df
Wiley ID 1487569