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5-Cinnamoylamino-2-cyanomethyl-1,3,4-thiadiazole
SpectraBase Compound ID 9ZwaSvflB6h
InChI InChI=1S/C13H10N4OS/c14-9-8-12-16-17-13(19-12)15-11(18)7-6-10-4-2-1-3-5-10/h1-7H,8H2,(H,15,17,18)
InChIKey MVJKKBJIDAQCJF-UHFFFAOYSA-N
Mol Weight 270.31 g/mol
Molecular Formula C13H10N4OS
Exact Mass 270.057532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uyDFCxwbDK
Name 5-Cinnamoylamino-2-cyanomethyl-1,3,4-thiadiazole
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N4OS
InChI InChI=1S/C13H10N4OS/c14-9-8-12-16-17-13(19-12)15-11(18)7-6-10-4-2-1-3-5-10/h1-7H,8H2,(H,15,17,18)
InChIKey MVJKKBJIDAQCJF-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2824
Molecular Weight 270.310 g/mol
SMILES N(C(C=Cc1ccccc1)=O)c1nnc(s1)CC#N
SPLASH splash10-014i-9020000000-010df884605e5d571406
Source of Spectrum Y-54-2357-4
Wiley ID 1878435