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4-(2-Hydroxy-5-formyl-phenyl)-butyric acid methyl ester

View entire compound with spectra: 1 MS (GC)

4-(2-Hydroxy-5-formyl-phenyl)-butyric acid methyl ester
SpectraBase Compound ID 7SdPltmmKP8
InChI InChI=1S/C12H14O4/c1-16-12(15)4-2-3-10-7-9(8-13)5-6-11(10)14/h5-8,14H,2-4H2,1H3
InChIKey LJPPCEDXYZFTBK-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33iS15yKQFH
Name 4-(2-Hydroxy-5-formyl-phenyl)-butyric acid methyl ester
Alternate Name(s) Methyl 4-(5-formyl-2-hydroxyphenyl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-16-12(15)4-2-3-10-7-9(8-13)5-6-11(10)14/h5-8,14H,2-4H2,1H3
InChIKey LJPPCEDXYZFTBK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/aoc.543
Molecular Weight 222.240 g/mol
SMILES Oc1c(cc(cc1)C=O)CCCC(=O)OC
SPLASH splash10-0a4i-9600000000-557665fa6e2879333d4b
Source of Spectrum AOC-17-838-5b
Wiley ID 1786453