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ACREMONISOL_A;3-CHLORO-4,6-DIMETHOXY-2-PROPYLBENZOIC_ACID
SpectraBase Compound ID 7vUqjQiHCmh
InChI InChI=1S/C12H15ClO4/c1-4-5-7-10(12(14)15)8(16-2)6-9(17-3)11(7)13/h6H,4-5H2,1-3H3,(H,14,15)
InChIKey MEDZQTPQXJJSOI-UHFFFAOYSA-N
Mol Weight 258.7 g/mol
Molecular Formula C12H15ClO4
Exact Mass 258.065887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8657IPRm7GV
Name ACREMONISOL_A;3-CHLORO-4,6-DIMETHOXY-2-PROPYLBENZOIC_ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15ClO4
InChI InChI=1S/C12H15ClO4/c1-4-5-7-10(12(14)15)8(16-2)6-9(17-3)11(7)13/h6H,4-5H2,1-3H3,(H,14,15)
InChIKey MEDZQTPQXJJSOI-UHFFFAOYSA-N
Literature Reference Author A.PONTIUS,I.MOHAMED,A.KRICK,S.KEHRAUS,G.M.KOENIG
Literature Reference Citation J.NAT.PROD.,71,272(2008)
Literature Reference DOI 10.1021/np0704710
Molecular Weight 258.702 g/mol
Sample ID 27206
Solvent CD3OD