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Cyclohexane, 1R-acetamido-2T,3C,4T,5C,6T-pentaacetoxy-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Cyclohexane, 1R-acetamido-2T,3C,4T,5C,6T-pentaacetoxy-
SpectraBase Compound ID FqhReGWm0U
InChI InChI=1S/C12H19NO5.3C2H4O2/c1-7(14)13-10-4-11(17-8(2)15)6-12(5-10)18-9(3)16;3*1-2(3)4/h10-12H,4-6H2,1-3H3,(H,13,14);3*1H3,(H,3,4)
InChIKey CRGWMTKKRYYFMO-UHFFFAOYSA-N
Mol Weight 437.44 g/mol
Molecular Formula C18H31NO11
Exact Mass 437.189711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID UX2EpKBzUW
Name Cyclohexane, 1R-acetamido-2T,3C,4T,5C,6T-pentaacetoxy-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 437.189710811 u
Formula C18H31NO11
InChI InChI=1S/C12H19NO5.3C2H4O2/c1-7(14)13-10-4-11(17-8(2)15)6-12(5-10)18-9(3)16;3*1-2(3)4/h10-12H,4-6H2,1-3H3,(H,13,14);3*1H3,(H,3,4)
InChIKey CRGWMTKKRYYFMO-UHFFFAOYSA-N
Molecular Weight 437.442 g/mol
Nominal Mass 437 u
SMILES OC(C)=O.N(C(C)=O)C1CC(OC(C)=O)CC(OC(C)=O)C1.OC(C)=O.OC(C)=O