| SpectraBase Compound ID | AnrEMjwJg8P |
|---|---|
| InChI | InChI=1S/C18H18O/c1-2-8-18(19)17-12-7-6-11-16(17)14-13-15-9-4-3-5-10-15/h3-7,9-14H,2,8H2,1H3/b14-13+ |
| InChIKey | USNVLNOSRULGMP-BUHFOSPRSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C18H18O |
| Exact Mass | 250.135765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LYaTxHGgzwN |
|---|---|
| Name | (E)-1-(2-Styrylphenyl)butan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.135765199 u |
| Formula | C18H18O |
| InChI | InChI=1S/C18H18O/c1-2-8-18(19)17-12-7-6-11-16(17)14-13-15-9-4-3-5-10-15/h3-7,9-14H,2,8H2,1H3/b14-13+ |
| InChIKey | USNVLNOSRULGMP-BUHFOSPRSA-N |
| Molecular Weight | 250.341 g/mol |
| SMILES | C1(\C=C\C=2C(C(=O)CCC)=CC=CC2)=CC=CC=C1 |