| SpectraBase Spectrum ID |
AQ4dnGkaNv0 |
| Name |
4-Isoquinolinecarbonitrile, 3-ethoxy-1,2,5,6,7,8-hexahydro-1-oxo- |
| Alternate Name(s) |
3-ethoxy-1-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
3-ethoxy-1-oxidanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile |
| CAS Registry Number |
56154-47-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H14N2O2 |
| InChI |
InChI=1S/C12H14N2O2/c1-2-16-12-10(7-13)8-5-3-4-6-9(8)11(15)14-12/h2-6H2,1H3,(H,14,15) |
| InChIKey |
FUXYAKZGUPEEGZ-UHFFFAOYSA-N |
| Molecular Weight |
218.256 g/mol |
| SMILES |
Oc1c2c(c(c(n1)OCC)C#N)CCCC2 |
| SPLASH |
splash10-004i-0940000000-013ce9878b62c408acbf |
| Source of Spectrum |
KC-1989-2272-3 |
| Wiley ID |
1217549 |
