| SpectraBase Spectrum ID |
6s3hr9ztIER |
| Name |
(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)acetonitrile |
| Alternate Name(s) |
2-(3-keto-5,5-dimethyl-cyclohexen-1-yl)acetonitrile
2-(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)ethanenitrile
2-(5,5-dimethyl-3-oxo-1-cyclohexenyl)acetonitrile
2-(5,5-dimethyl-3-oxo-cyclohexen-1-yl)acetonitrile |
| CAS Registry Number |
65253-25-0 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H13NO |
| InChI |
InChI=1S/C10H13NO/c1-10(2)6-8(3-4-11)5-9(12)7-10/h5H,3,6-7H2,1-2H3 |
| InChIKey |
XWBIWCIZYOBPJZ-UHFFFAOYSA-N |
| Molecular Weight |
163.220 g/mol |
| SMILES |
C(#N)CC1=CC(=O)CC(C1)(C)C |
| SPLASH |
splash10-0a4i-0900000000-d08e94914f912ffdfa91 |
| Source of Spectrum |
J-43-1818-0 |
| Wiley ID |
1159539 |
