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ETHYL_4-HYDROXY-3-(2-HYDROXY-3-METHYL-3-BUTENYL)-BENZOATE
SpectraBase Compound ID 1WSFaVDE9W2
InChI InChI=1S/C14H18O4/c1-4-18-14(17)10-5-6-12(15)11(7-10)8-13(16)9(2)3/h5-7,13,15-16H,2,4,8H2,1,3H3
InChIKey ODCPIXJSDDLDMP-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ILDtpzEUcbl
Name ETHYL_4-HYDROXY-3-(2-HYDROXY-3-METHYL-3-BUTENYL)-BENZOATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-4-18-14(17)10-5-6-12(15)11(7-10)8-13(16)9(2)3/h5-7,13,15-16H,2,4,8H2,1,3H3
InChIKey ODCPIXJSDDLDMP-UHFFFAOYSA-N
Literature Reference Author N.FLORES,I.A.JIMENEZ,A.GIMENEZ,G.RUIZ,D.GUTIERREZ,G.BOURDY,I .L.BAZZOCCHI
Literature Reference Citation J.NAT.PROD.,71,1538(2008)
Literature Reference DOI 10.1021/np800104p
Molecular Weight 250.295 g/mol
Sample ID 29019
Solvent CDCl3