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DESULFO-(S)-2-HYDROXY-2-PHENYLETHYLGLUCOSINOLATE

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DESULFO-(S)-2-HYDROXY-2-PHENYLETHYLGLUCOSINOLATE
SpectraBase Compound ID 8sLAvhQzXRo
InChI InChI=1S/C15H21NO7S/c17-7-10-12(19)13(20)14(21)15(23-10)24-11(16-22)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-22H,6-7H2/b16-11+/t9-,10-,12-,13+,14-,15+/m0/s1
InChIKey MDUWLNWHFQXWIB-SPWHPWPHSA-N
Mol Weight 359.39 g/mol
Molecular Formula C15H21NO7S
Exact Mass 359.103873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Xasdo9P72u
Name DESULFO-(S)-2-HYDROXY-2-PHENYLETHYLGLUCOSINOLATE
Compound Number D2S
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20NO7S
InChI InChI=1S/C15H21NO7S/c17-7-10-12(19)13(20)14(21)15(23-10)24-11(16-22)6-9(18)8-4-2-1-3-5-8/h1-5,9-10,12-15,17-22H,6-7H2/b16-11+/t9-,10-,12-,13+,14-,15+/m0/s1
InChIKey MDUWLNWHFQXWIB-SPWHPWPHSA-N
Literature Reference Author N.AGERBIRK,C.E.OLSEN,J.K.NIELSEN
Literature Reference Citation PHYTOCHEM.,58,91(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00151-0
Molecular Weight 358.386 g/mol
Solvent D2O
Source File Reference UWLU2747