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[(2R,3S,4S,5R)-3-acetamido-5-methoxy-2-methyl-2,3,4,5-tetrahydropyran-1-ium-4-yl] acetate
SpectraBase Compound ID ClQpL7Kjjj3
InChI InChI=1S/C11H17NO5/c1-6-10(12-7(2)13)11(17-8(3)14)9(15-4)5-16-6/h5-6,9-11H,1-4H3/p+1/t6-,9+,10-,11-/m1/s1
InChIKey IALNNQYBYRUDAH-PZNDFVKQSA-O
Mol Weight 244.27 g/mol
Molecular Formula C11H18NO5
Exact Mass 244.118498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EoIRJACxNok
Name [(2R,3S,4S,5R)-3-acetamido-5-methoxy-2-methyl-2,3,4,5-tetrahydropyran-1-ium-4-yl] acetate
Carrier Gas Helium
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Formula C11H18NO5
InChI InChI=1S/C11H17NO5/c1-6-10(12-7(2)13)11(17-8(3)14)9(15-4)5-16-6/h5-6,9-11H,1-4H3/p+1/t6-,9+,10-,11-/m1/s1
InChIKey IALNNQYBYRUDAH-PZNDFVKQSA-O
Instrument Name Agilent 6850-5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202106671
Molecular Weight 244.267 g/mol
SMILES N([C@@]1([C@]([O+]=C[C@@]([C@]1(OC(C)=O)[H])(OC)[H])(C)[H])[H])C(C)=O
SPLASH splash10-01pc-9500000000-4662a11ef9324bcbb194
Source of Spectrum ACI-60-SM4-Figure S1b
Wiley ID 1882636