| SpectraBase Spectrum ID |
1YPnk2i6G0 |
| Name |
3,4-Isoquinolinedicarboxylic acid, 1-cyano-, dimethyl ester |
| Alternate Name(s) |
Dimethyl 1-cyano-3,4-isoquinolinedicarboxylate
Dimethyl ester of 1-cyano-3,4-isoquinolinedicarboxylic acid |
| CAS Registry Number |
84662-32-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H10N2O4 |
| InChI |
InChI=1S/C14H10N2O4/c1-19-13(17)11-9-6-4-3-5-8(9)10(7-15)16-12(11)14(18)20-2/h3-6H,1-2H3 |
| InChIKey |
XBRFWOGBNHSKRO-UHFFFAOYSA-N |
| Molecular Weight |
270.244 g/mol |
| SMILES |
c1(c(nc(c2c1cccc2)C#N)C(=O)OC)C(=O)OC |
| SPLASH |
splash10-0udi-0900000000-6cba612a227e187983df |
| Source of Spectrum |
K-116-101-0 |
| Wiley ID |
1273935 |
