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N,N-Dimethyl-3,6-anhydro-4,5:7,8-di-o-isopropylidene-D-erythro-L-allo-octonamide
SpectraBase Compound ID 4ItXNH2fpVW
InChI InChI=1S/C16H27NO7/c1-15(2)20-7-8(22-15)10-12-13(24-16(3,4)23-12)11(21-10)9(18)14(19)17(5)6/h8-13,18H,7H2,1-6H3/t8?,9-,10?,11?,12?,13?/m0/s1
InChIKey IWAYMHNUQOQWEL-KKFNGLHCSA-N
Mol Weight 345.39 g/mol
Molecular Formula C16H27NO7
Exact Mass 345.178752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G4YnKMHJmQO
Name N,N-Dimethyl-3,6-anhydro-4,5:7,8-di-o-isopropylidene-D-erythro-L-allo-octonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 345.178752206 u
Formula C16H27NO7
InChI InChI=1S/C16H27NO7/c1-15(2)20-7-8(22-15)10-12-13(24-16(3,4)23-12)11(21-10)9(18)14(19)17(5)6/h8-13,18H,7H2,1-6H3/t8?,9-,10?,11?,12?,13?/m0/s1
InChIKey IWAYMHNUQOQWEL-KKFNGLHCSA-N
Molecular Weight 345.392 g/mol
SMILES C1(C2C(OC(O2)(C)C)C(O1)C1OC(C)(C)OC1)[C@@](C(N(C)C)=O)(O)[H]