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1-(3-HYDROXYPENT-1-EN-4-YNYL)-6-(1-HYDROXYPROP-2-YNYL)-CYCLOHEPTA-1,3,5-TRIENE;ISOMER-A

View entire compound with spectra: 2 NMR, and 1 MS (GC)

1-(3-HYDROXYPENT-1-EN-4-YNYL)-6-(1-HYDROXYPROP-2-YNYL)-CYCLOHEPTA-1,3,5-TRIENE;ISOMER-A
SpectraBase Compound ID 3fQoer9cRcz
InChI InChI=1S/C15H14O2/c1-3-14(16)10-9-12-7-5-6-8-13(11-12)15(17)4-2/h1-2,5-10,14-17H,11H2/b10-9+
InChIKey AEJWMFXPJDQGQA-MDZDMXLPSA-N
Mol Weight 226.27 g/mol
Molecular Formula C15H14O2
Exact Mass 226.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWfBGwonBpw
Name 1-(3-HYDROXYPENT-1-EN-4-YNYL)-6-(1-HYDROXYPROP-2-YNYL)-CYCLOHEPTA-1,3,5-TRIENE;ISOMER-B
Compound Number 16
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C15H14O2/c1-3-14(16)10-9-12-7-5-6-8-13(11-12)15(17)4-2/h1-2,5-10,14-17H,11H2/b10-9+
InChIKey AEJWMFXPJDQGQA-MDZDMXLPSA-N
Literature Reference H.HIGUCHI,K.ASANO,J.OJIMA,K.YAMAMOTO,T.YOSHIDA,T.ADACHI,G.YAMAMOTO J.CHEM.SOC.PERKIN-1,1453(1994)
Solvent Chloroform-d