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(E)-2-(4-HYDROXYCYCLOHEPT-2-EN-1-YLIDENE)-PROPANENITRILE
SpectraBase Compound ID WMp3QcGRw7
InChI InChI=1S/C10H13NO/c1-8(7-11)9-3-2-4-10(12)6-5-9/h5-6,10,12H,2-4H2,1H3/b9-8+
InChIKey PNPODXXWTACLMW-CMDGGOBGSA-N
Mol Weight 163.22 g/mol
Molecular Formula C10H13NO
Exact Mass 163.099714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2xDpNDIm9md
Name (E)-2-(4-HYDROXYCYCLOHEPT-2-EN-1-YLIDENE)-PROPANENITRILE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H13NO
InChI InChI=1S/C10H13NO/c1-8(7-11)9-3-2-4-10(12)6-5-9/h5-6,10,12H,2-4H2,1H3/b9-8+
InChIKey PNPODXXWTACLMW-CMDGGOBGSA-N
Literature Reference Author J.B.COTE,T.D.QUACH,A.P.DEMENEV,D.S.GARVEY,J.M.BERMAN
Literature Reference Citation INT.J.MED.CH.,2011,826792(2011)
Molecular Weight 163.219 g/mol
Solvent CDCl3
Source File Reference UWLU976506