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5,6-DI-(4-METHOXYPHENYL)-1,3-DIAZETO-[1',2'-A]-THIAZOLO-[4,5-D]-[1,3]-DIAZEPINE
SpectraBase Compound ID 3aSiooHAh29
InChI InChI=1S/C30H25N5O4S/c1-4-39-28(36)24-18-25-26(32-27(40-25)19-8-6-5-7-9-19)33-30-34(21-12-16-23(38-3)17-13-21)29(35(24)30)31-20-10-14-22(37-2)15-11-20/h5-18H,4H2,1-3H3/b31-29+
InChIKey PKXGFVDBPHTLMF-OWWNRXNESA-N
Mol Weight 551.62 g/mol
Molecular Formula C30H25N5O4S
Exact Mass 551.162725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gk1ADiCKpXg
Name 5,6-DI-(4-METHOXYPHENYL)-1,3-DIAZETO-[1',2'-A]-THIAZOLO-[4,5-D]-[1,3]-DIAZEPINE
Compound Number 11C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H25N5O4S
InChI InChI=1S/C30H25N5O4S/c1-4-39-28(36)24-18-25-26(32-27(40-25)19-8-6-5-7-9-19)33-30-34(21-12-16-23(38-3)17-13-21)29(35(24)30)31-20-10-14-22(37-2)15-11-20/h5-18H,4H2,1-3H3/b31-29+
InChIKey PKXGFVDBPHTLMF-OWWNRXNESA-N
Literature Reference Author P.MOLINA,A.ARQUES,A.ALIAS
Literature Reference Citation J.ORG.CHEM.,58,5264(1993)
Literature Reference DOI 10.1021/jo00071a043
Molecular Weight 551.620 g/mol
Solvent CDCl3
Source File Reference UWCS22358