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6-HYDROXYETHIIN-A/6-HYDROXYETHIIN-B;[R(S)R(C)]/[S(C)RC(C)]-R-(2-HYDROXYETHYL)-CYSTEINE-SULFOXIDE;MIXTURE
SpectraBase Compound ID DG8isbQFv7d
InChI InChI=1S/2C5H11NO4S/c2*6-4(5(8)9)3-11(10)2-1-7/h2*4,7H,1-3,6H2,(H,8,9)/t2*4-,11?/m00/s1
InChIKey VKYDWFDNPNDMMH-ADUMKOKVSA-N
Mol Weight 362.41 g/mol
Molecular Formula C10H22N2O8S2
Exact Mass 362.081758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Wyhcumjtin
Name 6-HYDROXYETHIIN-A/6-HYDROXYETHIIN-B;[R(S)R(C)]/[S(C)RC(C)]-R-(2-HYDROXYETHYL)-CYSTEINE-SULFOXIDE;MIXTURE
Compound Number 1A/1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H22N2O8S2
InChI InChI=1S/2C5H11NO4S/c2*6-4(5(8)9)3-11(10)2-1-7/h2*4,7H,1-3,6H2,(H,8,9)/t2*4-,11?/m00/s1
InChIKey VKYDWFDNPNDMMH-ADUMKOKVSA-N
Literature Reference Author R.KUBEC,S.KIM,R.A.MUSAH
Literature Reference Citation PHYTOCHEM.,61,675(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00328-X
Molecular Weight 362.413 g/mol
Solvent D2O
Source File Reference UWLU29429