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BITNKYARGKCVLH-RRFGBZISSA-N
SpectraBase Compound ID 2RRzTrasqlm
InChI InChI=1S/C21H31N3O6S/c1-5-6-13-30-19(26)14-23-18(25)11-12-22-21(27)20(15(2)3)24-31(28,29)17-9-7-16(4)8-10-17/h5-10,15,20,24H,11-14H2,1-4H3,(H,22,27)(H,23,25)/b6-5+/t20-/m1/s1
InChIKey BITNKYARGKCVLH-RRFGBZISSA-N
Mol Weight 453.55 g/mol
Molecular Formula C21H31N3O6S
Exact Mass 453.193357 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3hBKDTxd1yc
Name BITNKYARGKCVLH-RRFGBZISSA-N
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H31N3O6S
InChI InChI=1S/C21H31N3O6S/c1-5-6-13-30-19(26)14-23-18(25)11-12-22-21(27)20(15(2)3)24-31(28,29)17-9-7-16(4)8-10-17/h5-10,15,20,24H,11-14H2,1-4H3,(H,22,27)(H,23,25)/b6-5+/t20-/m1/s1
InChIKey BITNKYARGKCVLH-RRFGBZISSA-N
Literature Reference Author U.KAZMAIER,S.MAIER
Literature Reference Citation J.ORG.CHEM.,64,4574(1999)
Literature Reference DOI 10.1021/jo9904821
Molecular Weight 453.554 g/mol
Sample ID 57902
Solvent CDCl3