| SpectraBase Spectrum ID |
4B5tOS7F7tk |
| Name |
5,8-diketo-7-methoxy-6-methyl-isoquinoline-1-carbonitrile |
| Alternate Name(s) |
7-methoxy-6-methyl-5,8-bis(oxidanylidene)isoquinoline-1-carbonitrile
7-methoxy-6-methyl-5,8-dioxo-1-isoquinolinecarbonitrile
7-methoxy-6-methyl-5,8-dioxo-isoquinoline-1-carbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H8N2O3 |
| InChI |
InChI=1S/C12H8N2O3/c1-6-10(15)7-3-4-14-8(5-13)9(7)11(16)12(6)17-2/h3-4H,1-2H3 |
| InChIKey |
ADTCOIHDNNOMEN-UHFFFAOYSA-N |
| Molecular Weight |
228.207 g/mol |
| SMILES |
C1(=C(C(=O)c2c(C1=O)ccnc2C#N)OC)C |
| SPLASH |
splash10-004i-0390000000-f03770f20ced4549a993 |
| Source of Spectrum |
E1-39-2258-18 |
| Wiley ID |
1519014 |
