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Methyl 2-o-[p-nitrobenzoyl]-3,5-o-isopropylidene-.beta.-D-xylofuranoside
SpectraBase Compound ID IGVZB5wocid
InChI InChI=1S/C16H19NO8/c1-16(2)22-8-11-12(25-16)13(15(21-3)23-11)24-14(18)9-4-6-10(7-5-9)17(19)20/h4-7,11-13,15H,8H2,1-3H3
InChIKey WUVXSEPTWRBAOY-UHFFFAOYSA-N
Mol Weight 353.33 g/mol
Molecular Formula C16H19NO8
Exact Mass 353.111067 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EEneMlQ2DhF
Name Methyl 2-o-[p-nitrobenzoyl]-3,5-o-isopropylidene-.beta.-D-xylofuranoside
Comments Computed using HOSE algorithm
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Exact Mass 353.111066568 u
Formula C16H19NO8
InChI InChI=1S/C16H19NO8/c1-16(2)22-8-11-12(25-16)13(15(21-3)23-11)24-14(18)9-4-6-10(7-5-9)17(19)20/h4-7,11-13,15H,8H2,1-3H3
InChIKey WUVXSEPTWRBAOY-UHFFFAOYSA-N
Molecular Weight 353.327 g/mol
SMILES C1(=CC=C(C=C1)C(OC1C2C(COC(O2)(C)C)OC1OC)=O)N(=O)=O