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KRLZPFBQYOOPEP-NEEIXGGXSA-N

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KRLZPFBQYOOPEP-NEEIXGGXSA-N
SpectraBase Compound ID 7Le1wWaIJSX
InChI InChI=1S/C23H28N2O6S2/c1-13-19-25-14(12-32-19)7-5-6-8-15(26)17-18(31-17)21(2)9-10-23(33-21,11-16(27)24-13)22(3,29)20(28)30-4/h5-8,12-13,17-18,29H,9-11H2,1-4H3,(H,24,27)/b7-5-,8-6+/t13-,17+,18-,21+,22-,23-/m1/s1
InChIKey KRLZPFBQYOOPEP-NEEIXGGXSA-N
Mol Weight 492.61 g/mol
Molecular Formula C23H28N2O6S2
Exact Mass 492.138879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kcf5jfjLeDa
Name KRLZPFBQYOOPEP-NEEIXGGXSA-N
Compound Number 4A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28N2O6S2
InChI InChI=1S/C23H28N2O6S2/c1-13-19-25-14(12-32-19)7-5-6-8-15(26)17-18(31-17)21(2)9-10-23(33-21,11-16(27)24-13)22(3,29)20(28)30-4/h5-8,12-13,17-18,29H,9-11H2,1-4H3,(H,24,27)/b7-5-,8-6+/t13-,17+,18-,21+,22-,23-/m1/s1
InChIKey KRLZPFBQYOOPEP-NEEIXGGXSA-N
Literature Reference Author A.ASAI,M.HARA,S.KAKITA,Y.KANDA,M.YOSHIDA,H.SAITO,Y.SAITOH
Literature Reference Citation J.AM.CHEM.SOC.,118,6802(1996)
Literature Reference DOI 10.1021/ja960892w
Molecular Weight 492.605 g/mol
Sample ID 36065
Solvent CDCl3