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5-Acetyl-2-(cinnamoyl)cyanomethylene-3-phenyl-2,3-dihydro-1,3,4-thiadiazole
SpectraBase Compound ID ZuJwEhqpsk
InChI InChI=1S/C21H15N3O2S/c1-15(25)20-23-24(17-10-6-3-7-11-17)21(27-20)18(14-22)19(26)13-12-16-8-4-2-5-9-16/h2-13H,1H3
InChIKey XVZNJCOVDRKFHR-UHFFFAOYSA-N
Mol Weight 373.43 g/mol
Molecular Formula C21H15N3O2S
Exact Mass 373.088498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RYTT9OSm72
Name 5-Acetyl-2-(cinnamoyl)cyanomethylene-3-phenyl-2,3-dihydro-1,3,4-thiadiazole
Appearance Solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15N3O2S
InChI InChI=1S/C21H15N3O2S/c1-15(25)20-23-24(17-10-6-3-7-11-17)21(27-20)18(14-22)19(26)13-12-16-8-4-2-5-9-16/h2-13H,1H3
InChIKey XVZNJCOVDRKFHR-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2013.10.029
Molecular Weight 373.430 g/mol
SMILES C1(=NN(C(S1)=C(C(=O)C=Cc1ccccc1)C#N)c1ccccc1)C(C)=O
SPLASH splash10-0udi-0900000000-ecd77c009f87d247054d
Source of Spectrum AJC-10-S2785-31a
Wiley ID 1857201