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(7-BENZYL-5,9-DIHYDRO-6,8-DIOXABENZOCYCLOHEPTEN-7-YL)-ACETONITRILE
SpectraBase Compound ID H4P8tsok3Fd
InChI InChI=1S/C18H17NO2/c19-11-10-18(12-15-6-2-1-3-7-15)20-13-16-8-4-5-9-17(16)14-21-18/h1-9H,10,12-14H2
InChIKey MMEGTXTUFFZECB-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C18H17NO2
Exact Mass 279.125929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kTsm0LczPh
Name (7-BENZYL-5,9-DIHYDRO-6,8-DIOXABENZOCYCLOHEPTEN-7-YL)-ACETONITRILE
Compound Number 7E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17NO2
InChI InChI=1S/C18H17NO2/c19-11-10-18(12-15-6-2-1-3-7-15)20-13-16-8-4-5-9-17(16)14-21-18/h1-9H,10,12-14H2
InChIKey MMEGTXTUFFZECB-UHFFFAOYSA-N
Literature Reference Author F.ROYER,F.X.FELPIN,E.DORIS
Literature Reference Citation J.ORG.CHEM.,66,6487(2001)
Literature Reference DOI 10.1021/jo0104227
Molecular Weight 279.338 g/mol
Solvent CDCl3
Source File Reference UWVN24797