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D-Mannonimidic acid, N-(acetyloxy)-2,3:5,6-bis-o-(1-methylethylidene)-, .gamma.-lactone
SpectraBase Compound ID 5qhSOwy5Avg
InChI InChI=1S/C14H21NO7/c1-7(16)22-15-12-11-10(20-14(4,5)21-11)9(18-12)8-6-17-13(2,3)19-8/h8-11H,6H2,1-5H3/b15-12+/t8-,9?,10+,11+/m1/s1
InChIKey OBWNGUKPEVQFDE-XUZORALKSA-N
Mol Weight 315.32 g/mol
Molecular Formula C14H21NO7
Exact Mass 315.131802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EHURWNqWXJO
Name D-Mannonimidic acid, N-(acetyloxy)-2,3:5,6-bis-o-(1-methylethylidene)-, .gamma.-lactone
Comments Computed using HOSE algorithm
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Exact Mass 315.131802013 u
Formula C14H21NO7
InChI InChI=1S/C14H21NO7/c1-7(16)22-15-12-11-10(20-14(4,5)21-11)9(18-12)8-6-17-13(2,3)19-8/h8-11H,6H2,1-5H3/b15-12+/t8-,9?,10+,11+/m1/s1
InChIKey OBWNGUKPEVQFDE-XUZORALKSA-N
Molecular Weight 315.322 g/mol
SMILES [C@@]12(\C(OC([C@@]2(OC(O1)(C)C)[H])[C@@]1(OC(C)(C)OC1)[H])=N/OC(=O)C)[H]