For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-Bromo-7-(9-hexyl-9H-carbazol-3-yl)[1,2,5]thiadiazolo[3,4-d]pyridazine
SpectraBase Compound ID 9DKQHC4XAIU
InChI InChI=1S/C22H20BrN5S/c1-2-3-4-7-12-28-17-9-6-5-8-15(17)16-13-14(10-11-18(16)28)19-20-21(27-29-26-20)22(23)25-24-19/h5-6,8-11,13H,2-4,7,12H2,1H3
InChIKey IFFRYYLQUNNOKF-UHFFFAOYSA-N
Mol Weight 466.4 g/mol
Molecular Formula C22H20BrN5S
Exact Mass 465.06228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 33FXQGZLeCv
Name 4-Bromo-7-(9-hexyl-9H-carbazol-3-yl)[1,2,5]thiadiazolo[3,4-d]pyridazine
Appearance Orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20BrN5S
InChI InChI=1S/C22H20BrN5S/c1-2-3-4-7-12-28-17-9-6-5-8-15(17)16-13-14(10-11-18(16)28)19-20-21(27-29-26-20)22(23)25-24-19/h5-6,8-11,13H,2-4,7,12H2,1H3
InChIKey IFFRYYLQUNNOKF-UHFFFAOYSA-N
Instrument Name Finnigan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201800961
Molecular Weight 466.401 g/mol
Reported Formula C22H20(79)BrN5S
SMILES C=1(Br)C=2C(C(=NN1)C=1C=CC=3N(C4=CC=CC=C4C3C1)CCCCCC)=NSN2
SPLASH splash10-0691-0654900000-621814b44969be0e069c
Source of Spectrum K1-2018-5675-6d (DOI: 10.1002/ejoc.201800961)
Thin-Layer Chromatography 0.4 (CH2Cl2)
Wiley ID 1894382