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PQEGCSHZLIDVNJ-AATRIKPKSA-N
SpectraBase Compound ID 6MyiUHmT0tC
InChI InChI=1S/C7H8O/c1-2-3-4-5-6-7-8/h5-7H,2H2,1H3/b6-5+
InChIKey PQEGCSHZLIDVNJ-AATRIKPKSA-N
Mol Weight 108.14 g/mol
Molecular Formula C7H8O
Exact Mass 108.057515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HiKJNPS3WK1
Name (E)-2-HEPTEN-4-YN-1-ALE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H8O
InChI InChI=1S/C7H8O/c1-2-3-4-5-6-7-8/h5-7H,2H2,1H3/b6-5+
InChIKey PQEGCSHZLIDVNJ-AATRIKPKSA-N
Literature Reference Author H.POLESCHNER,M.HEYDENREICH
Literature Reference Citation MAGN.RES.CHEM.,35,712(1997)
Literature Reference DOI 10.1002/(sici)1097-458x(199711)35:10<712::aid-omr159>3.0.co;2-x
Molecular Weight 108.140 g/mol
Solvent CDCl3
Source File Reference UWCP4094