CAS Registry Number: 129414-26-2

Name:

Benzoic acid, 4-​(1-​pyrrolidinyl)​-​, methyl ester
4-​(Pyrrolidin-​1-​yl)​benzoic acid methyl ester; Methyl 4-​pyrrolidinobenzoate 

Chemical Formula: C12H15NO2
Exact Mass: 205.11
Molecular Weight: 205.25
m/z: 205.11 (100.0%), 206.11 (13.4%)
Elemental Analysis: C, 70.22; H, 7.37; N, 6.82; O, 15.59

InChI: InChI=1S/C12H15NO2/c1-15-12(14)10-4-6-11(7-5-10)13-8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
InChIKey: XNIVNLQKURGIAY-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=CC=C(C=C1)N2CCCC2

Specification

98%

1. (1) Dehe, Daniel; Journal of Organic Chemistry 2011, V76(4), P1151-1154 CAPLUS
2. (2) Hamid, M. Haniti S. A.; Journal of the American Chemical Society 2009, V131(5), P1766-1774 CAPLUS