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1,3-CYCLOHEXANEDIOL, 4,6-DIMETHYL-2-NITRO-, DIACETATE (ESTER), (1alpha,2beta,3alpha,4beta,6beta)-
SpectraBase Compound ID 4HjJh6Djs1f
InChI InChI=1S/C12H19NO6/c1-6-5-7(2)12(19-9(4)15)10(13(16)17)11(6)18-8(3)14/h6-7,10-12H,5H2,1-4H3
InChIKey NOQJNLZTZKORHC-UHFFFAOYSA-N
Mol Weight 273.28 g/mol
Molecular Formula C12H19NO6
Exact Mass 273.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jbs02WYSWUp
Name 1,3-Cyclohexanediol, 4,6-dimethyl-2-nitro-, diacetate (ester), (1.alpha.,2.beta.,3.alpha.,4.beta.,6.beta.)-
CAS Registry Number 114454-73-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO6
InChI InChI=1S/C12H19NO6/c1-6-5-7(2)12(19-9(4)15)10(13(16)17)11(6)18-8(3)14/h6-7,10-12H,5H2,1-4H3
InChIKey NOQJNLZTZKORHC-UHFFFAOYSA-N
Molecular Weight 273.285 g/mol
SMILES CC1C(OC(=O)C)C(C(OC(=O)C)C(C1)C)N(=O)=O
SPLASH splash10-054o-9700000000-f3371386b6cd55171364
Synonyms 3-(Acetyloxy)-4,6-dimethyl-2-nitrocyclohexyl acetate (3-acetoxy-4,6-dimethyl-2-nitro-cyclohexyl) acetate (3-acetyloxy-4,6-dimethyl-2-nitro-cyclohexyl) ethanoate Acetic acid (3-acetoxy-4,6-dimethyl-2-nitro-cyclohexyl) ester Acetic acid (3-acetyloxy-4,6-dimethyl-2-nitrocyclohexyl) ester
Wiley ID 1485271