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 |
SpectraBase Spectrum ID | 9U3ZvTQbiWr |
---|---|
Name | CYCLOHEPTANONE |
Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C7H12O |
InChI | InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2 |
InChIKey | CGZZMOTZOONQIA-UHFFFAOYSA-N |
Instrument Name | CH5 |
Molecular Weight | 112.0885 |
SMILES | C1CCC(=O)CCC1 |
SPLASH | splash10-0aou-9000000000-3b6e528aeace42948c01 |
Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |