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3,4,7-Trimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-carbonitrile
SpectraBase Compound ID 1N1YcKfBYjv
InChI InChI=1S/C12H13NO3/c1-14-10-4-8-6-12(7-13,16-3)9(8)5-11(10)15-2/h4-5H,6H2,1-3H3
InChIKey IYWKNKLDFYVJDU-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L43wVTr1hBV
Name 3,4,7-Trimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-carbonitrile
Alternate Name(s) 3,4,7-trimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-14-10-4-8-6-12(7-13,16-3)9(8)5-11(10)15-2/h4-5H,6H2,1-3H3
InChIKey IYWKNKLDFYVJDU-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES C1(c2cc(OC)c(cc2C1)OC)(C#N)OC
SPLASH splash10-0udi-0090000000-1d81ed4a57483818eeb5
Source of Spectrum KC-1992-3114-10
Wiley ID 777359