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Methyl di-p-nitrobenzoyl-.beta.-D-galactopyranoside

View entire compound with spectra: 1 NMR

Methyl di-p-nitrobenzoyl-.beta.-D-galactopyranoside
SpectraBase Compound ID 7FyJmvn5tYS
InChI InChI=1S/C21H20N2O12/c1-32-21-18(35-20(27)12-4-8-14(9-5-12)23(30)31)16(25)17(15(10-24)33-21)34-19(26)11-2-6-13(7-3-11)22(28)29/h2-9,15-18,21,24-25H,10H2,1H3/t15-,16+,17+,18-,21-/m1/s1
InChIKey SQEZMTLXRFAKSE-BWZHCXAASA-N
Mol Weight 492.39 g/mol
Molecular Formula C21H20N2O12
Exact Mass 492.101624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hgr9qqfBV0J
Name Methyl di-p-nitrobenzoyl-.beta.-D-galactopyranoside
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.101624080 u
Formula C21H20N2O12
InChI InChI=1S/C21H20N2O12/c1-32-21-18(35-20(27)12-4-8-14(9-5-12)23(30)31)16(25)17(15(10-24)33-21)34-19(26)11-2-6-13(7-3-11)22(28)29/h2-9,15-18,21,24-25H,10H2,1H3/t15-,16+,17+,18-,21-/m1/s1
InChIKey SQEZMTLXRFAKSE-BWZHCXAASA-N
Molecular Weight 492.393 g/mol
SMILES [C@]1([C@](O[C@]([C@@]([C@]1(O)[H])(OC(=O)C1=CC=C(C=C1)N(=O)=O)[H])(OC)[H])(CO)[H])(OC(=O)C1=CC=C(C=C1)N(=O)=O)[H]