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5-Phenyl-3-(2'-propynyl)-N-nitroso-1,.3,4-thiadiazole-2(3H)-imine
SpectraBase Compound ID 5p7fTybMWWk
InChI InChI=1S/C11H8N4OS/c1-2-8-15-11(12-14-16)17-10(13-15)9-6-4-3-5-7-9/h1,3-7H,8H2/b12-11+
InChIKey JXXZXKNMWNDDFF-VAWYXSNFSA-N
Mol Weight 244.27 g/mol
Molecular Formula C11H8N4OS
Exact Mass 244.041882 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9swLoBhuJpE
Name 5-Phenyl-3-(2'-propynyl)-N-nitroso-1,.3,4-thiadiazole-2(3H)-imine
Alternate Name(s) (2E)-5-phenyl-3-(2-propynyl)-1,3,4-thiadiazol-2(3H)-one oxohydrazone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N4OS
InChI InChI=1S/C11H8N4OS/c1-2-8-15-11(12-14-16)17-10(13-15)9-6-4-3-5-7-9/h1,3-7H,8H2/b12-11+
InChIKey JXXZXKNMWNDDFF-VAWYXSNFSA-N
Molecular Weight 244.272 g/mol
SMILES C=1(S\C(N(N1)CC#C)=N\N=O)c1ccccc1
SPLASH splash10-024i-5940000000-99132d877bd1568c67bf
Source of Spectrum D8-328-20-16
Wiley ID 1515551