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4-(1,3-thiazol-5-yl)-2H-phthalazin-1-one
SpectraBase Compound ID BGDhtCCSsFq
InChI InChI=1S/C11H7N3OS/c15-11-8-4-2-1-3-7(8)10(13-14-11)9-5-12-6-16-9/h1-6H,(H,14,15)
InChIKey MDZKISOLXUCBJU-UHFFFAOYSA-N
Mol Weight 229.26 g/mol
Molecular Formula C11H7N3OS
Exact Mass 229.030983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EiR8jwM0UYP
Name 4-(1,3-thiazol-5-yl)-2H-phthalazin-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C11H7N3OS
InChI InChI=1S/C11H7N3OS/c15-11-8-4-2-1-3-7(8)10(13-14-11)9-5-12-6-16-9/h1-6H,(H,14,15)
InChIKey MDZKISOLXUCBJU-UHFFFAOYSA-N
Molecular Weight 229.257 g/mol
SMILES N1N=C(c2c(C1=O)cccc2)c1scnc1
SPLASH splash10-002b-0980000000-469c0beffe9e7b68eb38
Source of Spectrum E1-36-4066-15
Synonyms 4-(5-thiazolyl)-2H-phthalazin-1-one 4-thiazol-5-yl-2H-phthalazin-1-one
Wiley ID 1574842