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3-Methyl-d-ribopyranose p-bromophenylosane

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

3-Methyl-d-ribopyranose p-bromophenylosane
SpectraBase Compound ID GaEJeK6TCah
InChI InChI=1S/C18H20Br2N4O3/c1-27-18(17(26)11-25)16(24-23-15-8-4-13(20)5-9-15)10-21-22-14-6-2-12(19)3-7-14/h2-10,17-18,22-23,25-26H,11H2,1H3/b21-10-,24-16+
InChIKey XUHNAWPXMUDLGB-AECVIOHYSA-N
Mol Weight 500.19 g/mol
Molecular Formula C18H20Br2N4O3
Exact Mass 497.990217 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9I3gkbYXOq0
Name 3-Methyl-D-ribopyranose p-bromophenylosane
Comments Computed using HOSE algorithm
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Exact Mass 497.990216517 u
Formula C18H20Br2N4O3
InChI InChI=1S/C18H20Br2N4O3/c1-27-18(17(26)11-25)16(24-23-15-8-4-13(20)5-9-15)10-21-22-14-6-2-12(19)3-7-14/h2-10,17-18,22-23,25-26H,11H2,1H3/b21-10-,24-16+
InChIKey XUHNAWPXMUDLGB-AECVIOHYSA-N
Molecular Weight 500.191 g/mol
SMILES C(CO)(C(\C(\C=N/NC1=CC=C(C=C1)Br)=N\NC1=CC=C(Br)C=C1)OC)O