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HERXAESTSQPWJL-OYCWWNLRSA-N

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HERXAESTSQPWJL-OYCWWNLRSA-N
SpectraBase Compound ID 6q4UZkjr3Tp
InChI InChI=1S/C21H22N2O6S/c1-11-9-13-16(20(26)28-3)23-18(25)15(19(23)30-17(13)21(11,2)27)22-14(24)10-29-12-7-5-4-6-8-12/h4-9,15,17,19,27H,10H2,1-3H3,(H,22,24)/t15-,17-,19-,21?/m1/s1
InChIKey HERXAESTSQPWJL-OYCWWNLRSA-N
Mol Weight 430.48 g/mol
Molecular Formula C21H22N2O6S
Exact Mass 430.119858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TmGcIbpnZq
Name HERXAESTSQPWJL-OYCWWNLRSA-N
Compound Number 2G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N2O6S
InChI InChI=1S/C21H22N2O6S/c1-11-9-13-16(20(26)28-3)23-18(25)15(19(23)30-17(13)21(11,2)27)22-14(24)10-29-12-7-5-4-6-8-12/h4-9,15,17,19,27H,10H2,1-3H3,(H,22,24)/t15-,17-,19-,21?/m1/s1
InChIKey HERXAESTSQPWJL-OYCWWNLRSA-N
Literature Reference Author J.PITLIK,T.E.GUNDA,G.BETTA,J.JEKOE
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3043(1994)
Literature Reference DOI 10.1039/p19940003043
Molecular Weight 430.475 g/mol
Solvent CDCl3
Source File Reference UWRU4287