| SpectraBase Compound ID | CSim3R6VmMi |
|---|---|
| InChI | InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2 |
| InChIKey | CGZZMOTZOONQIA-UHFFFAOYSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 28HHINj0EC8 |
|---|---|
| Name | CYCLOHEPTANONE |
| CAS Registry Number | 502-42-1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2 |
| InChIKey | CGZZMOTZOONQIA-UHFFFAOYSA-N |
| Literature Reference Author | C.DELSETH,J.P.KINTZINGER |
| Literature Reference Citation | HELV.CHIM.ACTA,59,466(1976) |
| Literature Reference DOI | 10.1002/hlca.19760590213 |
| Solvent | Unknown |
| Source File Reference | UNIO75 |