CAS Registry Number: 945493-49-2

Name:

1H-​Indole-​1-​carboxylic acid, 2-​borono-​5-​(dimethylamino)​-​, 1-​(1,​1-​dimethylethyl) ester

Chemical Formula: C15H21BN2O4
Exact Mass: 304.16
Molecular Weight: 304.15
m/z: 304.16 (100.0%), 303.16 (24.8%), 305.16 (17.1%), 304.17 (4.1%), 306.17 (1.3%)

InChI: InChI=1S/C15H21BN2O4/c1-15(2,3)22-14(19)18-12-7-6-11(17(4)5)8-10(12)9-13(18)16(20)21/h6-9,20-21H,1-5H3
InChIKey: KQJRUICWEPXFIJ-UHFFFAOYSA-N
Canonical SMILES : B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)N(C)C)(O)O

Specification

98%

1. (1) Mizuta, Masahiro; Journal of Organic Chemistry 2007, V72(14), P5046-5055 CAPLUS