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5-(2-Chloroethoxy)-6-methoxy-1H-indole-2-carboxylic acid
SpectraBase Compound ID ALpwhk7gXAs
InChI InChI=1S/C12H12ClNO4/c1-17-10-6-8-7(4-9(14-8)12(15)16)5-11(10)18-3-2-13/h4-6,14H,2-3H2,1H3,(H,15,16)
InChIKey UPJIJJOOFHSRCM-UHFFFAOYSA-N
Mol Weight 269.68 g/mol
Molecular Formula C12H12ClNO4
Exact Mass 269.045486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rVASywylcL
Name 5-(2-Chloroethoxy)-6-methoxy-1H-indole-2-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C12H12ClNO4
InChI InChI=1S/C12H12ClNO4/c1-17-10-6-8-7(4-9(14-8)12(15)16)5-11(10)18-3-2-13/h4-6,14H,2-3H2,1H3,(H,15,16)
InChIKey UPJIJJOOFHSRCM-UHFFFAOYSA-N
Molecular Weight 269.684 g/mol
SMILES [nH]1c2cc(c(cc2cc1C(=O)O)OCCCl)OC
SPLASH splash10-066r-0090000000-e12f5b35b6a2191f0af5
Source of Spectrum K1-0-2318-12
Synonyms 5-(2-chloroethyloxy)-6-methoxy-1H-indole-2-carboxylic acid
Wiley ID 1588930