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Linamarin
SpectraBase Compound ID BC7O0wsz5hn
InChI InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6?,7-,8-,9+/m1/s1
InChIKey QLTCHMYAEJEXBT-DUULYHEGSA-N
Mol Weight 247.25 g/mol
Molecular Formula C10H17NO6
Exact Mass 247.105587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LcdU5P4dKOk
Name Linamarin
Comments broad-band decoupling (BB)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C10H17NO6
InChI InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6?,7-,8-,9+/m1/s1
InChIKey QLTCHMYAEJEXBT-DUULYHEGSA-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