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LINAMARIN;2-(BETA-D-GLUCOPYRANOSYLOXY)-2-METHYLPROPANENITRILE
SpectraBase Compound ID 3C1yVRjQ1l7
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+/m0/s1
InChIKey QLTCHMYAEJEXBT-VRGHQRLXSA-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 3Au1ovqpetu
Name LINAMARIN
CAS Registry Number 554-35-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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+/m0/s1
InChIKey QLTCHMYAEJEXBT-VRGHQRLXSA-N
Literature Reference Author C.R.SMITH-JR.,D.WEISLEDER,R.W.MILLER,I.S.PALMER,O.E.OLSON
Literature Reference Citation J.ORG.CHEM.,45,507(1980)
Literature Reference DOI 10.1021/jo01291a027
Molecular Weight 247.248 g/mol
Solvent D2O
Source File Reference UNIW18508