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Benzoic acid, 3,5-dimethoxy-, 1-hexynyl ester
SpectraBase Compound ID Wf8OjlCHA
InChI InChI=1S/C15H18O4/c1-4-5-6-7-8-19-15(16)12-9-13(17-2)11-14(10-12)18-3/h9-11H,4-6H2,1-3H3
InChIKey LHDBYZXWCTUJAX-UHFFFAOYSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47TDKhZnruR
Name 3,5-Dimethoxy-benzoic acid, 1-hexynyl ester
Comments SHIFTVALUE FROM C14 AND C15 IS CHANGED FROM 52.42 TO 55.42 PPM (A.H.)
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Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-4-5-6-7-8-19-15(16)12-9-13(17-2)11-14(10-12)18-3/h9-11H,4-6H2,1-3H3
InChIKey LHDBYZXWCTUJAX-UHFFFAOYSA-N
Instrument Name Varian XL-300
Literature Reference P.J. Stang, M. Boeshar, H. Wingert, J. Am. Chem. Soc. 110, 3272 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3