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(3-R,4-R)-4-METHYLHEPT-5-(E)-EN-1-YN-3-OL
SpectraBase Compound ID DJk0XffxYn1
InChI InChI=1S/C8H12O/c1-4-6-7(3)8(9)5-2/h2,4,6-9H,1,3H3/b6-4+/t7-,8+/m1/s1
InChIKey JVURYBCXQGBIOQ-SLQBNDFVSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6AQ5grLbSvX
Name (3-R,4-R)-4-METHYLHEPT-5-(E)-EN-1-YN-3-OL
Compound Number 1 0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H12O
InChI InChI=1S/C8H12O/c1-4-6-7(3)8(9)5-2/h2,4,6-9H,1,3H3/b6-4+/t7-,8+/m1/s1
InChIKey JVURYBCXQGBIOQ-SLQBNDFVSA-N
Literature Reference Author J.LIANG,D.W.HOARD,V.V.KHAU,M.J.MARTINELLI,E.D.MOHER,R.E.MOOR E,M.A.TIUS
Literature Reference Citation J.ORG.CHEM.,64,1459(1999)
Literature Reference DOI 10.1021/jo9815958
Molecular Weight 124.183 g/mol
Sample ID 39447
Solvent CDCl3