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4-ACETOXY-3-(3'-METHYL-2'-BUTENYL)-BENZOIC-ACID

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-ACETOXY-3-(3'-METHYL-2'-BUTENYL)-BENZOIC-ACID
SpectraBase Compound ID 2NdP96TAqQj
InChI InChI=1S/C14H16O4/c1-9(2)4-5-11-8-12(14(16)17)6-7-13(11)18-10(3)15/h4,6-8H,5H2,1-3H3,(H,16,17)
InChIKey LJXDJSDZOJAKDD-UHFFFAOYSA-N
Mol Weight 248.28 g/mol
Molecular Formula C14H16O4
Exact Mass 248.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5kZdDy55tyH
Name 4-ACETOXY-3-(3'-METHYL-2'-BUTENYL)-BENZOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H16O4
InChI InChI=1S/C14H16O4/c1-9(2)4-5-11-8-12(14(16)17)6-7-13(11)18-10(3)15/h4,6-8H,5H2,1-3H3,(H,16,17)
InChIKey LJXDJSDZOJAKDD-UHFFFAOYSA-N
Literature Reference Author P.VENKATASUBBAIAH,W.S.CHILTON
Literature Reference Citation J.NAT.PROD.,54,1293(1991)
Literature Reference DOI 10.1021/np50077a009
Molecular Weight 248.279 g/mol
Solvent Unknown
Source File Reference UWTS813