SpectraBase Compound ID | IwdsewLMGva |
---|---|
InChI | InChI=1S/C13H14O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2 |
InChIKey | CMBMYOXQJBCPFT-UHFFFAOYSA-N |
Mol Weight | 186.25 g/mol |
Molecular Formula | C13H14O |
Exact Mass | 186.104465 g/mol |
SpectraBase Spectrum ID | 9Yxh4ZuYMvX |
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Name | 4-Benzylcyclohex-2-en-1-one |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 186.104465070 u |
Formula | C13H14O |
InChI | InChI=1S/C13H14O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2 |
InChIKey | CMBMYOXQJBCPFT-UHFFFAOYSA-N |
Molecular Weight | 186.254 g/mol |
SMILES | C1=CC(CC=2C=CC=CC2)CCC1=O |