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UKHWOBYXCRHCDL-JPMGXVIASA-N

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UKHWOBYXCRHCDL-JPMGXVIASA-N
SpectraBase Compound ID Fe6mNoaYkKo
InChI InChI=1S/C21H33N3O6S2/c1-4-5-6-9-14-22-15-10-11-16-23(20(18(2)3)17-31(22,27)28)32(29,30)21-13-8-7-12-19(21)24(25)26/h7-8,10-13,18,20H,4-6,9,14-17H2,1-3H3/b11-10-/t20-/m1/s1
InChIKey UKHWOBYXCRHCDL-JPMGXVIASA-N
Mol Weight 487.6 g/mol
Molecular Formula C21H33N3O6S2
Exact Mass 487.181078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3VCuXE2mEsL
Name UKHWOBYXCRHCDL-JPMGXVIASA-N
Compound Number 12C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H33N3O6S2
InChI InChI=1S/C21H33N3O6S2/c1-4-5-6-9-14-22-15-10-11-16-23(20(18(2)3)17-31(22,27)28)32(29,30)21-13-8-7-12-19(21)24(25)26/h7-8,10-13,18,20H,4-6,9,14-17H2,1-3H3/b11-10-/t20-/m1/s1
InChIKey UKHWOBYXCRHCDL-JPMGXVIASA-N
Literature Reference Author A.J.BROUWER,R.M.J.LISKAMP
Literature Reference Citation J.ORG.CHEM.,69,3662(2004)
Literature Reference DOI 10.1021/jo0358325
Molecular Weight 487.630 g/mol
Solvent CDCl3
Source File Reference UWVN21351