For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,3-CYCLOHEXANEDIOL, 2,5-DIMETHYL-2-NITRO-, DIACETATE (ESTER), (1alpha,2beta,3alpha,5alpha)-
SpectraBase Compound ID 6c20cWHOP7s
InChI InChI=1S/C12H19NO6/c1-7-5-10(18-8(2)14)12(4,13(16)17)11(6-7)19-9(3)15/h7,10-11H,5-6H2,1-4H3
InChIKey ZWRMWIGWEJQPHG-UHFFFAOYSA-N
Mol Weight 273.28 g/mol
Molecular Formula C12H19NO6
Exact Mass 273.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID o8aJWLRvuv
Name 1,3-Cyclohexanediol, 2,5-dimethyl-2-nitro-, diacetate (ester), (1.alpha.,2.beta.,3.alpha.,5.alpha.)-
CAS Registry Number 114454-72-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19NO6
InChI InChI=1S/C12H19NO6/c1-7-5-10(18-8(2)14)12(4,13(16)17)11(6-7)19-9(3)15/h7,10-11H,5-6H2,1-4H3
InChIKey ZWRMWIGWEJQPHG-UHFFFAOYSA-N
Molecular Weight 273.285 g/mol
SMILES CC1CC(C(C(C1)OC(=O)C)(C)N(=O)=O)OC(=O)C
SPLASH splash10-002f-9800000000-b828ec509e6734b3ef83
Source of Spectrum H-71-11-9
Synonyms 3-(Acetyloxy)-2,5-dimethyl-2-nitrocyclohexyl acetate (3-acetoxy-2,5-dimethyl-2-nitro-cyclohexyl) acetate (3-acetyloxy-2,5-dimethyl-2-nitro-cyclohexyl) ethanoate Acetic acid (3-acetoxy-2,5-dimethyl-2-nitro-cyclohexyl) ester Acetic acid (3-acetyloxy-2,5-dimethyl-2-nitrocyclohexyl) ester
Wiley ID 1277050