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2-THIONE-3(N)-(9'-ACRIDINYL)-5-DIETHYLAMINOETHYLTHIO-1,3,4-THIADIAZOLE
SpectraBase Compound ID 2ppQlJ9Z8ov
InChI InChI=1S/C21H22N4S3/c1-3-24(4-2)13-14-27-20-23-25(21(26)28-20)19-15-9-5-7-11-17(15)22-18-12-8-6-10-16(18)19/h5-12H,3-4,13-14H2,1-2H3
InChIKey VKRGIQVZQOXIQR-UHFFFAOYSA-N
Mol Weight 426.62 g/mol
Molecular Formula C21H22N4S3
Exact Mass 426.10066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vlpzd9FXHr
Name 2-THIONE-3(N)-(9'-ACRIDINYL)-5-DIETHYLAMINOETHYLTHIO-1,3,4-THIADIAZOLE
Compound Number 7G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N4S3
InChI InChI=1S/C21H22N4S3/c1-3-24(4-2)13-14-27-20-23-25(21(26)28-20)19-15-9-5-7-11-17(15)22-18-12-8-6-10-16(18)19/h5-12H,3-4,13-14H2,1-2H3
InChIKey VKRGIQVZQOXIQR-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 426.612 g/mol
Solvent CDCl3
Source File Reference UWRK992