| SpectraBase Spectrum ID |
5X3Fehd35EG |
| Name |
2-(1-Cyclohexenyl)cyclohexanone |
| CAS Registry Number |
1502-22-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
178.135765199 u |
| Formula |
C12H18O |
| InChI |
InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6,11H,1-5,7-9H2 |
| InChIKey |
GVNVAWHJIKLAGL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.275 g/mol |
| Nominal Mass |
178 u |
| Quality |
967 |
| Retention Index |
1328 |
| SMILES |
C1(C2=CCCCC2)C(CCCC1)=O |
| SPLASH |
splash10-002b-8900000000-a47fc2341e9e35d3cbb3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1,1'-Bi(Cyclohexan)-1'-en-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_021723 |
