CAS Registry Number: 775305-12-9

Name:

1H-​Indole-​1-​carboxylic acid, 3-​bromo-​2-​methyl-​, 1,​1-​dimethylethyl ester
3-​Bromo-​2-​methylindole-​1-​carboxylic acid tert-​butyl ester; tert-​Butyl 3-​bromo-​2-​methyl-​1H-​indole-​1-​carboxylate 

Chemical Formula: C14H16BrNO2
Exact Mass: 309.04
Molecular Weight: 310.19
m/z: 309.04 (100.0%), 311.03 (97.3%), 310.04 (15.4%), 312.04 (15.1%), 311.04 (1.5%), 313.04 (1.5%)

InChI: InChI=1S/C14H16BrNO2/c1-9-12(15)10-7-5-6-8-11(10)16(9)13(17)18-14(2,3)4/h5-8H,1-4H3
InChIKey: RUAYZSFSPSZYHI-UHFFFAOYSA-N
Canonical SMILES : CC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)Br

Specification

98%

PCT Int. Appl. (2010), WO 2010136491 A1 20101202.

PCT Int. Appl. (2009), WO 2009126675 A1 20091015.