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3-Benzoyl-4-(phenethyl)-1,2,5-thiadiazole
SpectraBase Compound ID Ej5YSUCZ2dQ
InChI InChI=1S/C17H14N2OS/c20-17(14-9-5-2-6-10-14)16-15(18-21-19-16)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey KIJPXJSUMRBBKF-UHFFFAOYSA-N
Mol Weight 294.37 g/mol
Molecular Formula C17H14N2OS
Exact Mass 294.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKcRna5NDfi
Name 3-Benzoyl-4-(phenethyl)-1,2,5-thiadiazole
Alternate Name(s) phenyl[4-(2-phenylethyl)-1,2,5-thiadiazol-3-yl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2OS
InChI InChI=1S/C17H14N2OS/c20-17(14-9-5-2-6-10-14)16-15(18-21-19-16)12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKey KIJPXJSUMRBBKF-UHFFFAOYSA-N
Molecular Weight 294.372 g/mol
SMILES c1(nsnc1CCc1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0006-9270000000-f85985adb68a8dd45848
Source of Spectrum H1-53-170-3
Wiley ID 817735