.beta.-D-Glucopyranosylamine, N-[(4-nitrophenyl)methylene]-4,6-o-(phenylmethylene)-, N-oxide, [1(Z),4(R)]-

SpectraBase Compound ID	88GyO9Zp8Jt
InChI	InChI=1S/C20H20N2O8/c23-16-17(24)19(21(25)10-12-6-8-14(9-7-12)22(26)27)29-15-11-28-20(30-18(15)16)13-4-2-1-3-5-13/h1-10,15-20,23-24H,11H2/b21-10-/t15-,16-,17-,18+,19-,20?/m1/s1
InChIKey	VHPYABPUQJZFKO-UOBQOXMUSA-N Google Search
Mol Weight	416.39 g/mol
Molecular Formula	C20H20N2O8
Exact Mass	416.121966 g/mol

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SpectraBase Spectrum ID	5zKDkB6F6fG
Name	.beta.-D-Glucopyranosylamine, N-[(4-nitrophenyl)methylene]-4,6-o-(phenylmethylene)-, N-oxide, [1(Z),4(R)]-
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	416.121965604 u
Formula	C20H20N2O8
InChI	InChI=1S/C20H20N2O8/c23-16-17(24)19(21(25)10-12-6-8-14(9-7-12)22(26)27)29-15-11-28-20(30-18(15)16)13-4-2-1-3-5-13/h1-10,15-20,23-24H,11H2/b21-10-/t15-,16-,17-,18+,19-,20?/m1/s1
InChIKey	VHPYABPUQJZFKO-UOBQOXMUSA-N
Molecular Weight	416.386 g/mol
SMILES	[C@@]1(\[N+](=C\C2=CC=C(N(=O)=O)C=C2)[O-])([C@@]([C@@](O)([C@@]2([C@](O1)(COC(C=1C=CC=CC1)O2)[H])[H])[H])(O)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.955868