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LGCAZOIAXIGVRS-UHFFFAOYSA-N
SpectraBase Compound ID V0dvZE7m2G
InChI InChI=1S/C19H16N2O2S/c1-13(22)17(14(2)23)19-21(16-11-7-4-8-12-16)20-18(24-19)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKey LGCAZOIAXIGVRS-UHFFFAOYSA-N
Mol Weight 336.41 g/mol
Molecular Formula C19H16N2O2S
Exact Mass 336.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8tzkNcnfr6G
Name 2,4-Pentanedione, 3-(3,5-diphenyl-1,3,4-thiadiazol-2(3H)-ylidene)-
CAS Registry Number 80746-25-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N2O2S
InChI InChI=1S/C19H16N2O2S/c1-13(22)17(14(2)23)19-21(16-11-7-4-8-12-16)20-18(24-19)15-9-5-3-6-10-15/h3-12H,1-2H3
InChIKey LGCAZOIAXIGVRS-UHFFFAOYSA-N
Molecular Weight 336.409 g/mol
SMILES C1(N(N=C(S1)c1ccccc1)c1ccccc1)=C(C(=O)C)C(=O)C
SPLASH splash10-004i-0093000000-d905c6766d75426a46b8
Source of Spectrum KC-1981-2950-0
Synonyms 3,4-Diphenyl-5,5-(diacetylmethylidene)-1,3,4-thiadiazol-2-ene 3-(3,5-diphenyl-1,3,4-thiadiazol-2(3H)-ylidene)-2,4-pentanedione
Wiley ID 1332379