CAS Registry Number: 913835-67-3

Name:

1H-​Indole-​1-​carboxylic acid, 2-​borono-​6-​cyano-​, 1-​(1,​1-​dimethylethyl) ester

Chemical Formula: C14H15BN2O4
Exact Mass: 286.11
Molecular Weight: 286.09
m/z: 286.11 (100.0%), 285.12 (24.8%), 287.12 (15.9%), 286.12 (3.8%), 288.12 (2.0%)

InChI: InChI=1S/C14H15BN2O4/c1-14(2,3)21-13(18)17-11-6-9(8-16)4-5-10(11)7-12(17)15(19)20/h4-7,19-20H,1-3H3
InChIKey: CZEBTZMIQZVUSE-UHFFFAOYSA-N
Canonical SMILES : B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)C#N)(O)O

Specification

98%

PCT Int. Appl. (2014), WO 2014078294 A1 20140522.                                 

PCT Int. Appl. (2014), WO 2014022744 A1 20140206.