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3-Chloro-2-hydroxy-4-methoxy-6-methylbenzoic acid
SpectraBase Compound ID EodnK24DMz3
InChI InChI=1S/C9H9ClO4/c1-4-3-5(14-2)7(10)8(11)6(4)9(12)13/h3,11H,1-2H3,(H,12,13)
InChIKey XPNKTFVRWOBCHT-UHFFFAOYSA-N
Mol Weight 216.62 g/mol
Molecular Formula C9H9ClO4
Exact Mass 216.018936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5dtMQfu5aUe
Name 3-Chloro-2-hydroxy-4-methoxy-6-methylbenzoic acid
CAS Registry Number 107783-48-2
Comments Less than 3 mono-isotopic peaks
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Formula C9H9ClO4
InChI InChI=1S/C9H9ClO4/c1-4-3-5(14-2)7(10)8(11)6(4)9(12)13/h3,11H,1-2H3,(H,12,13)
InChIKey XPNKTFVRWOBCHT-UHFFFAOYSA-N
Molecular Weight 216.620 g/mol
SMILES Oc1c(C(=O)O)c(cc(c1Cl)OC)C
SPLASH splash10-0002-0940000000-03cadfa7016465c58440
Source of Spectrum B-41-1794-17
Synonyms 3-chloranyl-4-methoxy-6-methyl-2-oxidanyl-benzoic acid
Wiley ID 1215009