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4-[5-(5-heptyl-1,3-dioxan-2-yl)-2-furyl]benzonitrile
SpectraBase Compound ID 1A8anNrp2VT
InChI InChI=1S/C22H27NO3/c1-2-3-4-5-6-7-18-15-24-22(25-16-18)21-13-12-20(26-21)19-10-8-17(14-23)9-11-19/h8-13,18,22H,2-7,15-16H2,1H3
InChIKey ONPDYYNPSKYJET-UHFFFAOYSA-N
Mol Weight 353.46 g/mol
Molecular Formula C22H27NO3
Exact Mass 353.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CcHW7NZOnb2
Name 4-[5-(5-heptyl-1,3-dioxan-2-yl)-2-furyl]benzonitrile
Alternate Name(s) 4-[5-(5-heptyl-1,3-dioxan-2-yl)-2-furanyl]benzonitrile 4-[5-(5-heptyl-1,3-dioxan-2-yl)furan-2-yl]benzenecarbonitrile 4-[5-(5-heptyl-1,3-dioxan-2-yl)furan-2-yl]benzonitrile Benzonitrile, 4-[5-(5-heptyl-[1,3]dioxan-2-yl)furan-2-yl]-
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Formula C22H27NO3
InChI InChI=1S/C22H27NO3/c1-2-3-4-5-6-7-18-15-24-22(25-16-18)21-13-12-20(26-21)19-10-8-17(14-23)9-11-19/h8-13,18,22H,2-7,15-16H2,1H3
InChIKey ONPDYYNPSKYJET-UHFFFAOYSA-N
Molecular Weight 353.462 g/mol
SMILES c1(ccc(o1)C1OCC(CO1)CCCCCCC)-c1ccc(cc1)C#N
SPLASH splash10-00ke-9701000000-b906266d37d394d455e1
Wiley ID 1439242