| SpectraBase Spectrum ID |
4eV0GfHWc9h |
| Name |
(1R,2R)-2,5,5-Trimethyl-3-oxocycloheptanecarbonitrile |
| Alternate Name(s) |
(1R,2R)-2,4,4-trimethyl-3-oxocycloheptanecarbonitrile
cis-2,5,5-Trimethyl-3-oxocyclohexanecarbonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C11H17NO |
| InChI |
InChI=1S/C11H17NO/c1-8-9(7-12)5-4-6-11(2,3)10(8)13/h8-9H,4-6H2,1-3H3/t8-,9+/m1/s1 |
| InChIKey |
GYAPGPBZLXGPJG-BDAKNGLRSA-N |
| Molecular Weight |
179.263 g/mol |
| SMILES |
C1([C@@]([C@](C#N)(CCCC1(C)C)[H])(C)[H])=O |
| SPLASH |
splash10-001i-9000000000-6962c681678a8544625c |
| Source of Spectrum |
KC-0-1161-39 |
| Wiley ID |
783741 |
