CAS Registry Number: 143262-17-3

Name:

1H-​Indole-​1-​carboxylic acid, 7-​bromo-​2,​3-​dihydro-​, 1,​1-​dimethylethyl ester

Chemical Formula: C13H16BrNO2
Exact Mass: 297.04
Molecular Weight: 298.18
m/z: 297.04 (100.0%), 299.03 (97.3%), 298.04 (14.3%), 300.04 (14.0%), 299.04 (1.4%), 301.04 (1.3%)
Elemental Analysis: C, 52.36; H, 5.41; Br, 26.80; N, 4.70; O, 10.73

InChI: InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15/h4-6H,7-8H2,1-3H3
InChIKey: LHLSVTIQYUAATK-UHFFFAOYSA-N
Canonical SMILES : CC(C)(C)OC(=O)N1CCC2=C1C(=CC=C2)Br

Specification

98%

Science of Synthesis (2004), 3, 305-662.

Tetrahedron Letters (1993), 34(39), 6185-8.