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2,4-Dihydroxy-6-n-butylbenzoic acid, methyl ester
SpectraBase Compound ID 42WpLalPhCV
InChI InChI=1S/C12H16O4/c1-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16-2/h6-7,13-14H,3-5H2,1-2H3
InChIKey CWJSSPNEXCIPSN-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IFQAnn9U0nA
Name 2,4-Dihydroxy-6-n-butylbenzoic acid, methyl ester
CAS Registry Number 102342-62-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16-2/h6-7,13-14H,3-5H2,1-2H3
InChIKey CWJSSPNEXCIPSN-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
SMILES Oc1cc(c(c(c1)O)C(=O)OC)CCCC
SPLASH splash10-0ul3-0920000000-0ab8e86d456c5349fd51
Source of Spectrum J-51-2427-15
Synonyms Methyl 2-butyl-4,6-dihydroxybenzoate
Wiley ID 1224991