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4-Bromo-7-[9-(p-tolyl)-2,3,4,4a,9,9a-hexahydro-1H-carbazol-6-yl]-[1,2,5]thiadiazolo[3,4-d]pyridazine
SpectraBase Compound ID COW2Pwrdkp7
InChI InChI=1S/C23H20BrN5S/c1-13-6-9-15(10-7-13)29-18-5-3-2-4-16(18)17-12-14(8-11-19(17)29)20-21-22(28-30-27-21)23(24)26-25-20/h6-12,16,18H,2-5H2,1H3
InChIKey FPEKUDRTLKTYMK-UHFFFAOYSA-N
Mol Weight 478.41 g/mol
Molecular Formula C23H20BrN5S
Exact Mass 477.06228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30NM19ruPzK
Name 4-Bromo-7-[9-(p-tolyl)-2,3,4,4a,9,9a-hexahydro-1H-carbazol-6-yl]-[1,2,5]thiadiazolo[3,4-d]pyridazine
Appearance Violet solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20BrN5S
InChI InChI=1S/C23H20BrN5S/c1-13-6-9-15(10-7-13)29-18-5-3-2-4-16(18)17-12-14(8-11-19(17)29)20-21-22(28-30-27-21)23(24)26-25-20/h6-12,16,18H,2-5H2,1H3
InChIKey FPEKUDRTLKTYMK-UHFFFAOYSA-N
Instrument Name Finnigan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800961
Molecular Weight 478.412 g/mol
Reported Formula C23H20(79)BrN5S
SMILES C1(Br)=NN=C(C=2C1=NSN2)C1=CC=2C3C(N(C2C=C1)C1=CC=C(C=C1)C)CCCC3
SPLASH splash10-004i-0010900000-b86099a197e2636f96c8
Source of Spectrum K1-2018-5675-6e (DOI: 10.1002/ejoc.201800961)
Thin-Layer Chromatography 0.4 (CH2Cl2)
Wiley ID 1894383