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L-CYSTINE-BISALLYLESTER-BIS-HYDROTOSYLATE;H2CYS2(OALL)2*2TOSOH
SpectraBase Compound ID KSlmjNAffFP
InChI InChI=1S/C12H20N2O4S2.2C7H8O3S/c1-3-5-17-11(15)9(13)7-19-20-8-10(14)12(16)18-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-4,9-10H,1-2,5-8,13-14H2;2*2-5H,1H3,(H,8,9,10)/t9-,10-;;/m0../s1
InChIKey QLKBMTUQCIEQNW-BZDVOYDHSA-N
Mol Weight 664.82 g/mol
Molecular Formula C26H36N2O10S4
Exact Mass 664.12528 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GfzSDKcnwIB
Name L-CYSTINE-BISALLYLESTER-BIS-HYDROTOSYLATE;H2CYS2(OALL)2*2TOSOH
Compound Number 3 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36N2O10S4
InChI InChI=1S/C12H20N2O4S2.2C7H8O3S/c1-3-5-17-11(15)9(13)7-19-20-8-10(14)12(16)18-6-4-2;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-4,9-10H,1-2,5-8,13-14H2;2*2-5H,1H3,(H,8,9,10)/t9-,10-;;/m0../s1
InChIKey QLKBMTUQCIEQNW-BZDVOYDHSA-N
Literature Reference Author M.SCHELHAAS,E.NAEGELE,N.KUDER,B.BADER,J.KUHLMANN,A.WITTINGHO FER,H.WALDMANN
Literature Reference Citation CHEM.EUR.J.,5,1239(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990401)5:4<1239::aid-chem1239>3.3.co;2-e
Molecular Weight 664.819 g/mol
Solvent CD3OD