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4,7-Di(4-ethoxyphenyl)-6-phenyl-1,2,5-thiadiazolo(3,4-c)pyridine
SpectraBase Compound ID 3aQ1ZomNfhd
InChI InChI=1S/C27H23N3O2S/c1-3-31-21-14-10-18(11-15-21)23-24(19-8-6-5-7-9-19)28-25(27-26(23)29-33-30-27)20-12-16-22(17-13-20)32-4-2/h5-17H,3-4H2,1-2H3
InChIKey JBLRLTRXXXKEJO-UHFFFAOYSA-N
Mol Weight 453.56 g/mol
Molecular Formula C27H23N3O2S
Exact Mass 453.151098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35BttanC2pb
Name 4,7-Di(4-ethoxyphenyl)-6-phenyl-1,2,5-thiadiazolo(3,4-c)pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23N3O2S
InChI InChI=1S/C27H23N3O2S/c1-3-31-21-14-10-18(11-15-21)23-24(19-8-6-5-7-9-19)28-25(27-26(23)29-33-30-27)20-12-16-22(17-13-20)32-4-2/h5-17H,3-4H2,1-2H3
InChIKey JBLRLTRXXXKEJO-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 453.560 g/mol
SMILES c1c(-c2c(-c3ccccc3)nc(c3c2nsn3)-c2ccc(cc2)OCC)ccc(c1)OCC
SPLASH splash10-0udi-2001900000-3c0a1e243b5ea6eef125
Source of Spectrum SRH-2022-11511-0
Wiley ID 1833095