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

*Links on SpectraBase are not permalinks.
3-(3-Amino-5-phenyl-6H-pyrrolo[2,3-c]isoxazol-6-yl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carbonitrile
SpectraBase Compound ID 8XrsAqw669j
InChI InChI=1S/C26H17N5OS/c1-15-12-19(16-8-4-2-5-9-16)29-26-22(15)23(21(14-27)33-26)31-20(17-10-6-3-7-11-17)13-18-24(28)32-30-25(18)31/h2-13H,28H2,1H3
InChIKey DJLLVWGXMSXKFY-UHFFFAOYSA-N
Mol Weight 447.52 g/mol
Molecular Formula C26H17N5OS
Exact Mass 447.115381 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 LJQZp7NChJ
Name 3-(3-Amino-5-phenyl-6H-pyrrolo[2,3-c]isoxazol-6-yl)-4-methyl-6-phenylthieno[2,3-b]pyridine-2-carbonitrile
Appearance Black powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H17N5OS
InChI InChI=1S/C26H17N5OS/c1-15-12-19(16-8-4-2-5-9-16)29-26-22(15)23(21(14-27)33-26)31-20(17-10-6-3-7-11-17)13-18-24(28)32-30-25(18)31/h2-13H,28H2,1H3
InChIKey DJLLVWGXMSXKFY-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3709
Molecular Weight 447.516 g/mol
SMILES Nc1c2cc([n](-c3c4c(cc(-c5ccccc5)nc4sc3C#N)C)c2no1)-c1ccccc1
SPLASH splash10-052f-9400000000-28f42f33784f66a4043b
Source of Spectrum Y-56-SM22-6
Wiley ID 1861131