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5-cyano-2,3-dimethyl-1-indolecarboxylic acid methyl ester
SpectraBase Compound ID GyubjKFDW4p
InChI InChI=1S/C13H12N2O2/c1-8-9(2)15(13(16)17-3)12-5-4-10(7-14)6-11(8)12/h4-6H,1-3H3
InChIKey ABUSZVGLSLWFBV-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C13H12N2O2
Exact Mass 228.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJ93XgbiahO
Name 5-cyano-2,3-dimethyl-1-indolecarboxylic acid methyl ester
Alternate Name(s) 5-cyano-2,3-dimethyl-indole-1-carboxylic acid methyl ester Methyl 5-cyano-2,3-dimethyl-indole-1-carboxylate
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Formula C13H12N2O2
InChI InChI=1S/C13H12N2O2/c1-8-9(2)15(13(16)17-3)12-5-4-10(7-14)6-11(8)12/h4-6H,1-3H3
InChIKey ABUSZVGLSLWFBV-UHFFFAOYSA-N
Molecular Weight 228.251 g/mol
SMILES c1([n](c2ccc(cc2c1C)C#N)C(=O)OC)C
SPLASH splash10-004i-0290000000-dee1bfe593223491d67b
Source of Spectrum K-2001-697-3
Wiley ID 1578690