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3-Chloro-2-hydroxy-4-methoxy-6-propylbenzoic acid
SpectraBase Compound ID ConIS6fyplO
InChI InChI=1S/C11H13ClO4/c1-3-4-6-5-7(16-2)9(12)10(13)8(6)11(14)15/h5,13H,3-4H2,1-2H3,(H,14,15)
InChIKey IARRSBYUCKKRGX-UHFFFAOYSA-N
Mol Weight 244.67 g/mol
Molecular Formula C11H13ClO4
Exact Mass 244.050237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOxN6yE4sBV
Name 3-Chloro-2-hydroxy-4-methoxy-6-propylbenzoic acid
CAS Registry Number 104307-54-2
Comments Less than 3 mono-isotopic peaks
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Formula C11H13ClO4
InChI InChI=1S/C11H13ClO4/c1-3-4-6-5-7(16-2)9(12)10(13)8(6)11(14)15/h5,13H,3-4H2,1-2H3,(H,14,15)
InChIKey IARRSBYUCKKRGX-UHFFFAOYSA-N
Molecular Weight 244.674 g/mol
SMILES Oc1c(C(=O)O)c(cc(c1Cl)OC)CCC
SPLASH splash10-00di-0900000000-3046a16394b4fa52d84e
Source of Spectrum B-38-1868-22
Synonyms 3-chloranyl-4-methoxy-2-oxidanyl-6-propyl-benzoic acid
Wiley ID 1246630