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2-THIONE-3(N)-[(3'-NITRO)-9'-ACRIDINYL]-5-ETHYLTHIO-1,3,4-THIADIAZOLE

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2-THIONE-3(N)-[(3'-NITRO)-9'-ACRIDINYL]-5-ETHYLTHIO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 8M3IfAuyXLV
InChI InChI=1S/C17H12N4O2S3/c1-2-25-16-19-20(17(24)26-16)15-11-5-3-4-6-13(11)18-14-9-10(21(22)23)7-8-12(14)15/h3-9H,2H2,1H3
InChIKey VZRKCEQLHXYLOG-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C17H12N4O2S3
Exact Mass 400.012239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7GjYQs0j9kL
Name 2-THIONE-3(N)-[(3'-NITRO)-9'-ACRIDINYL]-5-ETHYLTHIO-1,3,4-THIADIAZOLE
Compound Number 7C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H12N4O2S3
InChI InChI=1S/C17H12N4O2S3/c1-2-25-16-19-20(17(24)26-16)15-11-5-3-4-6-13(11)18-14-9-10(21(22)23)7-8-12(14)15/h3-9H,2H2,1H3
InChIKey VZRKCEQLHXYLOG-UHFFFAOYSA-N
Literature Reference Author P.AMIEL,A.MAHAMOUD,P.BROUANT,J.P.GALY,J.BARBE,J.KAROLAK-WOJC IECHOWSKA,M.POSEL
Literature Reference Citation CAN.J.CHEM.,73,1258(1995)
Literature Reference DOI 10.1139/v95-154
Molecular Weight 400.488 g/mol
Solvent CDCl3
Source File Reference UWRK986