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3,3'-([1,1'-biphenyl]-4,4'-diyl)bis(5-acetyl-1,3,4-thiadiazol-2(3H)-one)
SpectraBase Compound ID 7F61e9zsccK
InChI InChI=1S/C20H14N4O4S2/c1-11(25)17-21-23(19(27)29-17)15-7-3-13(4-8-15)14-5-9-16(10-6-14)24-20(28)30-18(22-24)12(2)26/h3-10H,1-2H3
InChIKey QCJJLJXEYRGFRJ-UHFFFAOYSA-N
Mol Weight 438.48 g/mol
Molecular Formula C20H14N4O4S2
Exact Mass 438.045647 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4bGpha9V5PS
Name 3,3'-([1,1'-biphenyl]-4,4'-diyl)bis(5-acetyl-1,3,4-thiadiazol-2(3H)-one)
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14N4O4S2
InChI InChI=1S/C20H14N4O4S2/c1-11(25)17-21-23(19(27)29-17)15-7-3-13(4-8-15)14-5-9-16(10-6-14)24-20(28)30-18(22-24)12(2)26/h3-10H,1-2H3
InChIKey QCJJLJXEYRGFRJ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3108
Molecular Weight 438.476 g/mol
SMILES c1c(ccc(c1)N1N=C(SC1=O)C(=O)C)-c1ccc(cc1)N1N=C(SC1=O)C(=O)C
SPLASH splash10-07bf-9730000000-2f1646f83e532168a81c
Source of Spectrum Y-55-850-17
Wiley ID 1879097