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METHYL-2-[(Z)-4-HYDROXY-4-PHENYL-1-BUTENYL]-BENZOATE
SpectraBase Compound ID 9F5ZEqNdIbj
InChI InChI=1S/C18H18O3/c1-21-18(20)16-12-6-5-8-14(16)11-7-13-17(19)15-9-3-2-4-10-15/h2-12,17,19H,13H2,1H3/b11-7-
InChIKey PGDKQFLZCWLYDJ-XFFZJAGNSA-N
Mol Weight 282.34 g/mol
Molecular Formula C18H18O3
Exact Mass 282.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwTMFFoHTdZ
Name METHYL-2-[(Z)-4-HYDROXY-4-PHENYL-1-BUTENYL]-BENZOATE
Compound Number 5G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18O3
InChI InChI=1S/C18H18O3/c1-21-18(20)16-12-6-5-8-14(16)11-7-13-17(19)15-9-3-2-4-10-15/h2-12,17,19H,13H2,1H3/b11-7-
InChIKey PGDKQFLZCWLYDJ-XFFZJAGNSA-N
Literature Reference Author S.E.DENMARK,S.M.YANG
Literature Reference Citation ORG.LETTERS,3,1749(2001)
Literature Reference DOI 10.1021/ol015950j
Molecular Weight 282.339 g/mol
Solvent CDCl3
Source File Reference UWLU33853