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2,2'-META-PHENYLENE-BIS-[5-(2-BROMOETHYLIMINO)-4,5-DIHYDRO-4-METHYL-1,3,4-THIADIAZOLE]
SpectraBase Compound ID BMXm5w11KM8
InChI InChI=1S/C16H18Br2N6S2/c1-23-15(19-8-6-17)25-13(21-23)11-4-3-5-12(10-11)14-22-24(2)16(26-14)20-9-7-18/h3-5,10H,6-9H2,1-2H3/b19-15-,20-16-
InChIKey CHYHWAMJXXGDNO-IKBKFCNISA-N
Mol Weight 518.29 g/mol
Molecular Formula C16H18Br2N6S2
Exact Mass 515.940113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KlTszmA0Uuh
Name 2,2'-META-PHENYLENE-BIS-[5-(2-BROMOETHYLIMINO)-4,5-DIHYDRO-4-METHYL-1,3,4-THIADIAZOLE]
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H18Br2N6S2
InChI InChI=1S/C16H18Br2N6S2/c1-23-15(19-8-6-17)25-13(21-23)11-4-3-5-12(10-11)14-22-24(2)16(26-14)20-9-7-18/h3-5,10H,6-9H2,1-2H3/b19-15-,20-16-
InChIKey CHYHWAMJXXGDNO-IKBKFCNISA-N
Literature Reference Author P.MOLINA,A.TARRAGA,I.DIAZ,A.ESPINOSA,C.GASPAR
Literature Reference Citation HETEROCYCLES,36,1263(1993)
Literature Reference DOI 10.3987/COM-92-6275
Molecular Weight 518.287 g/mol
Solvent CDCl3
Source File Reference UWCP6763