| SpectraBase Spectrum ID |
5WyGs3Lqii7 |
| Name |
1,3-dimethyl-2-oxocyclohexanecarbonitrile |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
151.099714042 u |
| Formula |
C9H13NO |
| InChI |
InChI=1S/C9H13NO/c1-7-4-3-5-9(2,6-10)8(7)11/h7H,3-5H2,1-2H3 |
| InChIKey |
MPIRFOFKWOSQOT-UHFFFAOYSA-N |
| Instrument Name |
SHIMADZU GCMS-QP2010 and JEOL JMS-DX303HF |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201605445 |
| Molecular Weight |
151.209 g/mol |
| Quality |
132 |
| Reported Formula |
C9H13NO |
| SMILES |
CC1C(C(CCC1)(C)C#N)=O |
| SPLASH |
splash10-066r-9000000000-131b4efd5552d218f644 |
| Sample Comments |
Major |
| Source of Spectrum |
ACI-55-SM26-2ae (DOI: 10.1002/anie.201605445) |
| Wiley ID |
1899104 |
