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2-(3-thenyl)-3,1-benzoxazin-4-one
SpectraBase Compound ID 9owc0Pm1ubT
InChI InChI=1S/C13H9NO2S/c15-13-10-3-1-2-4-11(10)14-12(16-13)7-9-5-6-17-8-9/h1-6,8H,7H2
InChIKey YUTIHXWPMXFFKC-UHFFFAOYSA-N
Mol Weight 243.28 g/mol
Molecular Formula C13H9NO2S
Exact Mass 243.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wN9aZhTLeo
Name 2-(3-thenyl)-3,1-benzoxazin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H9NO2S
InChI InChI=1S/C13H9NO2S/c15-13-10-3-1-2-4-11(10)14-12(16-13)7-9-5-6-17-8-9/h1-6,8H,7H2
InChIKey YUTIHXWPMXFFKC-UHFFFAOYSA-N
Molecular Weight 243.280 g/mol
SMILES C1(OC(Cc2cscc2)=Nc2c1cccc2)=O
SPLASH splash10-0005-0960000000-079416f603e465f15a31
Source of Spectrum Y-28-2010-3
Synonyms 2-(3-thienylmethyl)-3,1-benzoxazin-4-one 2-(3-thiophenylmethyl)-3,1-benzoxazin-4-one 2-(thiophen-3-ylmethyl)-3,1-benzoxazin-4-one
Wiley ID 1245982