CAS Registry Number: 172595-68-5

Name:

1H-​Indole-​3-​carboxylic acid, 5-​methoxy-​, methyl ester
5-​Methoxyindole-​3-​carboxylic acid methyl ester 

Chemical Formula: C11H11NO3
Exact Mass: 205.07
Molecular Weight: 205.21
m/z: 205.07 (100.0%), 206.08 (12.1%), 207.08 (1.3%)
Elemental Analysis: C, 64.38; H, 5.40; N, 6.83; O, 23.39

InChI: InChI=1S/C11H11NO3/c1-14-7-3-4-10-8(5-7)9(6-12-10)11(13)15-2/h3-6,12H,1-2H3
InChIKey: ODBFYEWPUQVAKY-UHFFFAOYSA-N
Canonical SMILES : COC1=CC2=C(C=C1)NC=C2C(=O)OC

Specification

98%

1. (1) Linton, Elizabeth C.; Journal of the American Chemical Society 2008, V130(48), P16162-16163 CAPLUS
2. (2) Okuro, Kazumi; Journal of Organic Chemistry 2011, V76(11), P4715-4720 CAPLUS