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Amygdalin(R)
SpectraBase Compound ID ISmppTrPdB6
InChI InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10?,11-,12?,13?,14?,15-,16?,17-,18?,19+,20?/m1/s1
InChIKey XUCIJNAGGSZNQT-WRFLPYFISA-N
Mol Weight 457.43 g/mol
Molecular Formula C20H27NO11
Exact Mass 457.158411 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Zppwo4Dkkf
Name Amygdalin(R)
CAS Registry Number 51371-34-7
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C20H27NO11
InChI InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10?,11-,12?,13?,14?,15-,16?,17-,18?,19+,20?/m1/s1
InChIKey XUCIJNAGGSZNQT-WRFLPYFISA-N
Instrument Name SF = 090 MHz
Literature Reference J. Org. Chem. 45, 507 (1980).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O