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5,6-DI-(4-METHYLPHENYL)-1,3-DIAZETO-[1',2'-A]-THIAZOLO-[4,5-D]-[1,3]-DIAZEPINE
SpectraBase Compound ID 9ojzT9uOeFd
InChI InChI=1S/C30H25N5O2S/c1-4-37-28(36)24-18-25-26(32-27(38-25)21-8-6-5-7-9-21)33-30-34(23-16-12-20(3)13-17-23)29(35(24)30)31-22-14-10-19(2)11-15-22/h5-18H,4H2,1-3H3/b31-29+
InChIKey GJFKUBDCVWCZHU-OWWNRXNESA-N
Mol Weight 519.62 g/mol
Molecular Formula C30H25N5O2S
Exact Mass 519.172896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CyCZtDxRSVN
Name 5,6-DI-(4-METHYLPHENYL)-1,3-DIAZETO-[1',2'-A]-THIAZOLO-[4,5-D]-[1,3]-DIAZEPINE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H25N5O2S
InChI InChI=1S/C30H25N5O2S/c1-4-37-28(36)24-18-25-26(32-27(38-25)21-8-6-5-7-9-21)33-30-34(23-16-12-20(3)13-17-23)29(35(24)30)31-22-14-10-19(2)11-15-22/h5-18H,4H2,1-3H3/b31-29+
InChIKey GJFKUBDCVWCZHU-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 519.621 g/mol
Solvent CDCl3
Source File Reference UWCS22357