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METHYL-4-HYDROXY-3-(3-METHYL-2-BUTENYL)-BENZOATE
SpectraBase Compound ID 2LEKDIOYpHR
InChI InChI=1S/C13H16O3/c1-9(2)4-5-10-8-11(13(15)16-3)6-7-12(10)14/h4,6-8,14H,5H2,1-3H3
InChIKey VTTIBUAIXVAPKR-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EgIKvGMTeJh
Name METHYL-4-HYDROXY-3-(3'-METHYL-2'-BUTENYL)-BENZOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-9(2)4-5-10-8-11(13(15)16-3)6-7-12(10)14/h4,6-8,14H,5H2,1-3H3
InChIKey VTTIBUAIXVAPKR-UHFFFAOYSA-N
Literature Reference Author R.PEREDA-MIRANDA,C.B.BERNARD,T.DURST,J.T.ARNASON,P.SANCHEZ-V INDAS,L.POVEDA,L.S.R
Literature Reference Citation J.NAT.PROD.,60,282(1997)
Literature Reference DOI 10.1021/np960601x
Molecular Weight 220.268 g/mol
Solvent CDCl3
Source File Reference UWKP23