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2-(2,4-DIHYDROXYPHENYL)-ACETONITRILE-2-O-BETA-D-GLUCOPYRANOSIDE-6'-O-PARA-HYDROXYBENZOATE
SpectraBase Compound ID EaVxINb3pwY
InChI InChI=1S/C21H21NO9/c22-8-7-11-1-6-14(24)9-15(11)30-21-19(27)18(26)17(25)16(31-21)10-29-20(28)12-2-4-13(23)5-3-12/h1-6,9,16-19,21,23-27H,7,10H2/t16-,17-,18+,19-,21-/m1/s1
InChIKey OUYMYUKCGMHNEC-GQUPQBGVSA-N
Mol Weight 431.4 g/mol
Molecular Formula C21H21NO9
Exact Mass 431.121631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7VGIsGANZrA
Name 2-(2,4-DIHYDROXYPHENYL)-ACETONITRILE-2-O-BETA-D-GLUCOPYRANOSIDE-6'-O-PARA-HYDROXYBENZOATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21NO9
InChI InChI=1S/C21H21NO9/c22-8-7-11-1-6-14(24)9-15(11)30-21-19(27)18(26)17(25)16(31-21)10-29-20(28)12-2-4-13(23)5-3-12/h1-6,9,16-19,21,23-27H,7,10H2/t16-,17-,18+,19-,21-/m1/s1
InChIKey OUYMYUKCGMHNEC-GQUPQBGVSA-N
Literature Reference Author Y.YAMASHITA-HIGUCHI,S.SUGIMOTO,K.MATSUNAMI,M.INAGAKI,H.OTSUK A,Y.TAKEDA
Literature Reference Citation CHEM.PHARM.BULL.,63,49(2015)
Literature Reference DOI 10.1248/cpb.c14-00638
Molecular Weight 431.399 g/mol
Solvent CD3OD
Source File Reference UWPA10015