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2-HYDROXY-14-OXO-1-(PARA-TOLUENESULFONYL)-1-AZACYCLOTETRADEC-2-ENE-3-CARBONITRILE
SpectraBase Compound ID KvGyVbRm55u
InChI InChI=1S/C21H28N2O4S/c1-17-12-14-19(15-13-17)28(26,27)23-20(24)11-9-7-5-3-2-4-6-8-10-18(16-22)21(23)25/h12-15,25H,2-11H2,1H3/b21-18-
InChIKey PQDDKDSPEMCWLW-UZYVYHOESA-N
Mol Weight 404.53 g/mol
Molecular Formula C21H28N2O4S
Exact Mass 404.176979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J2EtwtVTz44
Name 2-HYDROXY-14-OXO-1-(PARA-TOLUENESULFONYL)-1-AZACYCLOTETRADEC-2-ENE-3-CARBONITRILE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28N2O4S
InChI InChI=1S/C21H28N2O4S/c1-17-12-14-19(15-13-17)28(26,27)23-20(24)11-9-7-5-3-2-4-6-8-10-18(16-22)21(23)25/h12-15,25H,2-11H2,1H3/b21-18-
InChIKey PQDDKDSPEMCWLW-UZYVYHOESA-N
Literature Reference Author V.I.OGNYANOV,M.HESSE
Literature Reference Citation HELV.CHIM.ACTA,72,1522(1989)
Literature Reference DOI 10.1002/hlca.19890720714
Molecular Weight 404.524 g/mol
Solvent Unknown
Source File Reference UWED15165