| SpectraBase Compound ID | JMhjUpiwOy5 |
|---|---|
| InChI | InChI=1S/C8H14O/c1-4-7(3)6-8(9)5-2/h4H,5-6H2,1-3H3/b7-4+ |
| InChIKey | WCGMLWCUUJVXJQ-QPJJXVBHSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E8qJWhv2p1N |
|---|---|
| Name | 5-HEPTEN-3-ONE, 5-METHYL-, (Z)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-4-7(3)6-8(9)5-2/h4H,5-6H2,1-3H3/b7-4+ |
| InChIKey | WCGMLWCUUJVXJQ-QPJJXVBHSA-N |
| Instrument Name | CH4 |
| Molecular Weight | 126.1041 |
| SMILES | CCC(C\C(=C\C)C)=O |
| SPLASH | splash10-0a6r-9000000000-7817341ec212c3f347da |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |