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4-(3,4-Dimethylphenyl)-2-[(4,5-dihydro-5-thiooxo-1,3,4-oxadiazol-2-yl)methyl]phthalazin-1(2H)-one
SpectraBase Compound ID 9pI85xhpfck
InChI InChI=1S/C19H16N4O2S/c1-11-7-8-13(9-12(11)2)17-14-5-3-4-6-15(14)18(24)23(22-17)10-16-20-21-19(26)25-16/h3-9H,10H2,1-2H3,(H,21,26)
InChIKey FIVIDAIGGSIPLU-UHFFFAOYSA-N
Mol Weight 364.42 g/mol
Molecular Formula C19H16N4O2S
Exact Mass 364.099397 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJV0T9pswgi
Name 4-(3,4-Dimethylphenyl)-2-[(4,5-dihydro-5-thiooxo-1,3,4-oxadiazol-2-yl)methyl]phthalazin-1(2H)-one
Alternate Name(s) 4-(3,4-dimethylphenyl)-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]-1-phthalazinone 4-(3,4-dimethylphenyl)-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methyl]phthalazin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N4O2S
InChI InChI=1S/C19H16N4O2S/c1-11-7-8-13(9-12(11)2)17-14-5-3-4-6-15(14)18(24)23(22-17)10-16-20-21-19(26)25-16/h3-9H,10H2,1-2H3,(H,21,26)
InChIKey FIVIDAIGGSIPLU-UHFFFAOYSA-N
Molecular Weight 364.423 g/mol
SMILES N1C(OC(=N1)CN1N=C(c2cc(C)c(cc2)C)c2c(C1=O)cccc2)=S
SPLASH splash10-03di-9320000000-6b9401ef618032ee3d5f
Source of Spectrum F2-45-1274-11
Wiley ID 1689268