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5-Chloro-3-methyl-1-indolecarboxylic acid tert-butyl ester
SpectraBase Compound ID 2Vg46qVwmiq
InChI InChI=1S/C14H16ClNO2/c1-9-8-16(13(17)18-14(2,3)4)12-6-5-10(15)7-11(9)12/h5-8H,1-4H3
InChIKey KGRBQRJFHZXYHB-UHFFFAOYSA-N
Mol Weight 265.74 g/mol
Molecular Formula C14H16ClNO2
Exact Mass 265.086956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5aDXnLpBacU
Name 5-Chloro-3-methyl-1-indolecarboxylic acid tert-butyl ester
Alternate Name(s) 5-Chloro-3-methyl-indole-1-carboxylic acid tert-butyl ester tert-Butyl 5-chloranyl-3-methyl-indole-1-carboxylate tert-Butyl 5-chloro-3-methyl-1H-indole-1-carboxylate tert-Butyl 5-chloro-3-methyl-indole-1-carboxylate
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Formula C14H16ClNO2
InChI InChI=1S/C14H16ClNO2/c1-9-8-16(13(17)18-14(2,3)4)12-6-5-10(15)7-11(9)12/h5-8H,1-4H3
InChIKey KGRBQRJFHZXYHB-UHFFFAOYSA-N
Molecular Weight 265.740 g/mol
SMILES C([n]1cc(C)c2c1ccc(Cl)c2)(OC(C)(C)C)=O
SPLASH splash10-0nmi-0940000000-0113124c7c66a9c430e5
Source of Spectrum J-62-7453-13
Wiley ID 1268894