| SpectraBase Spectrum ID |
DIaqxE2IDCv |
| Name |
2-cyano-2-(2,4,4-trimethyl-6-oxo-1-cyclohexenyl)acetic acid ethyl ester |
| Alternate Name(s) |
2-cyano-2-(6-keto-2,4,4-trimethyl-cyclohexen-1-yl)acetic acid ethyl ester
ethyl 2-cyano-2-(2,4,4-trimethyl-6-oxidanylidene-cyclohexen-1-yl)ethanoate
ethyl 2-cyano-2-(2,4,4-trimethyl-6-oxo-cyclohexen-1-yl)acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H19NO3 |
| InChI |
InChI=1S/C14H19NO3/c1-5-18-13(17)10(8-15)12-9(2)6-14(3,4)7-11(12)16/h10H,5-7H2,1-4H3 |
| InChIKey |
ACQQIGBPUQVZPW-UHFFFAOYSA-N |
| Molecular Weight |
249.310 g/mol |
| SMILES |
C1(C(C(=O)OCC)C#N)=C(CC(CC1=O)(C)C)C |
| SPLASH |
splash10-0006-9040000000-5acc7716ae647ae8a90e |
| Source of Spectrum |
KC-57-2767-4 |
| Wiley ID |
1623609 |
