CAS Registry Number: 69687-80-5

Name:

1H-​Pyrrole-​3-​carboxylic acid, 2,​5-​dimethyl-​, methyl ester
Methyl 2,​5-​dimethyl-​1H-​pyrrole-​3-​carboxylate; Methyl 2,​5-​dimethylpyrrole-​3-​carboxylate 

Chemical Formula: C8H11NO2
Exact Mass: 153.08
Molecular Weight: 153.18
m/z: 153.08 (100.0%), 154.08 (9.1%)
Elemental Analysis: C, 62.73; H, 7.24; N, 9.14; O, 20.89

InChI: InChI=1S/C8H11NO2/c1-5-4-7(6(2)9-5)8(10)11-3/h4,9H,1-3H3
InChIKey: OQWZEJIISPYZPW-UHFFFAOYSA-N
Canonical SMILES : CC1=CC(=C(N1)C)C(=O)OC

Specification

98%

(1) Wang, Heng-Yen; Journal of Organic Chemistry 2011, V76(9), P3203-3221 CAPLUS