CAS Registry Number: 69582-93-0

Name:

1-​Isoquinolineacetic acid, methyl ester
Methyl 1-​isoquinolylacetate 

Chemical Formula: C12H11NO2
Exact Mass: 201.08
Molecular Weight: 201.22
m/z: 201.08 (100.0%), 202.08 (13.4%)
Elemental Analysis: C, 71.63; H, 5.51; N, 6.96; O, 15.90

InChI: InChI=1S/C12H11NO2/c1-15-12(14)8-11-10-5-3-2-4-9(10)6-7-13-11/h2-7H,8H2,1H3
InChIKey: OGVLKYKVZIKHLK-UHFFFAOYSA-N
Canonical SMILES : COC(=O)CC1=NC=CC2=CC=CC=C21

Specification

98%

1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
2. (2) Iwao, Masatomo; Journal of Heterocyclic Chemistry 1978, V15(8), P1425-30 CAPLUS
3. (3) Funakoshi, Kazuhisa; Chemical & Pharmaceutical Bulletin 1984, V32(12), P4731-9 CAPLUS