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7-(4-Methoxyphenyl)bicyclo[4.2.0]octa-1,3,5-trien-7-carbonitrile
SpectraBase Compound ID 3VAutSitAGg
InChI InChI=1S/C16H13NO/c1-18-14-8-6-13(7-9-14)16(11-17)10-12-4-2-3-5-15(12)16/h2-9H,10H2,1H3
InChIKey CFAAANSICLZOSG-UHFFFAOYSA-N
Mol Weight 235.29 g/mol
Molecular Formula C16H13NO
Exact Mass 235.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46WpBmA27m5
Name 7-(4-Methoxyphenyl)bicyclo[4.2.0]octa-1,3,5-trien-7-carbonitrile
Alternate Name(s) 7-(4-methoxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C16H13NO
InChI InChI=1S/C16H13NO/c1-18-14-8-6-13(7-9-14)16(11-17)10-12-4-2-3-5-15(12)16/h2-9H,10H2,1H3
InChIKey CFAAANSICLZOSG-UHFFFAOYSA-N
Molecular Weight 235.286 g/mol
SMILES C1(c2ccccc2C1)(C#N)c1ccc(cc1)OC
SPLASH splash10-0udi-0090000000-607a39bcaa80b4fa4032
Source of Spectrum KC-1992-3114-12
Wiley ID 777357