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2- Cinnamoylamino -6,8-dicyano-7-(3,4-dimethoxyphenyl)-5-imino-5H-1,3,4-thiadiazolo[3,2-a]pyridine
SpectraBase Compound ID KJh8CiZylyW
InChI InChI=1S/C25H18N6O3S/c1-33-19-10-9-16(12-20(19)34-2)22-17(13-26)23(28)31-24(18(22)14-27)35-25(30-31)29-21(32)11-8-15-6-4-3-5-7-15/h3-12,28H,1-2H3,(H,29,30,32)
InChIKey JMRGDFMNDWGEDF-UHFFFAOYSA-N
Mol Weight 482.52 g/mol
Molecular Formula C25H18N6O3S
Exact Mass 482.11611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CgJTR9N7Xz
Name 2- Cinnamoylamino -6,8-dicyano-7-(3,4-dimethoxyphenyl)-5-imino-5H-1,3,4-thiadiazolo[3,2-a]pyridine
Appearance Light brown crystals
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18N6O3S
InChI InChI=1S/C25H18N6O3S/c1-33-19-10-9-16(12-20(19)34-2)22-17(13-26)23(28)31-24(18(22)14-27)35-25(30-31)29-21(32)11-8-15-6-4-3-5-7-15/h3-12,28H,1-2H3,(H,29,30,32)
InChIKey JMRGDFMNDWGEDF-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2824
Molecular Weight 482.518 g/mol
SMILES N(C(C=Cc1ccccc1)=O)C1=NN2C(=C(C(=C(C2=N)C#N)c2cc(c(cc2)OC)OC)C#N)S1
SPLASH splash10-0fuu-2900800000-52674010c7798015dd00
Source of Spectrum Y-54-2358-13
Wiley ID 1878433