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5-Allylamino-3-benzoyl-2,3-dihydro-[1,3,4]thiadiazol-2,2-dicarbonitrile
SpectraBase Compound ID LcUEn9DemON
InChI InChI=1S/C14H11N5OS/c1-2-8-17-13-18-19(14(9-15,10-16)21-13)12(20)11-6-4-3-5-7-11/h2-7H,1,8H2,(H,17,18)
InChIKey AVOOBAUWTWANPE-UHFFFAOYSA-N
Mol Weight 297.34 g/mol
Molecular Formula C14H11N5OS
Exact Mass 297.068431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYdT7JL6wd4
Name 5-Allylamino-3-benzoyl-2,3-dihydro-[1,3,4]thiadiazol-2,2-dicarbonitrile
Alternate Name(s) 5-(allylamino)-3-benzoyl-1,3,4-thiadiazole-2,2(3H)-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11N5OS
InChI InChI=1S/C14H11N5OS/c1-2-8-17-13-18-19(14(9-15,10-16)21-13)12(20)11-6-4-3-5-7-11/h2-7H,1,8H2,(H,17,18)
InChIKey AVOOBAUWTWANPE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hc.20071
Molecular Weight 297.336 g/mol
SMILES N(C1=NN(C(=O)c2ccccc2)C(C#N)(C#N)S1)CC=C
SPLASH splash10-0a6r-4900000000-fa4090229d0bb0c38948
Source of Spectrum HAC-16-19-13b
Wiley ID 1783503