| SpectraBase Compound ID | Ib7bTWPdDD5 |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h3-8H,1-2H3/b9-3+ |
| InChIKey | KADLBQXUUGTLOS-YCRREMRBSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JSUIML0GivZ |
|---|---|
| Name | (E)-but-2-en-2-yl benzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h3-8H,1-2H3/b9-3+ |
| InChIKey | KADLBQXUUGTLOS-YCRREMRBSA-N |
| Literature Reference DOI | 10.1021/ol301563g |
| Molecular Weight | 176.215 g/mol |
| SMILES | c1(ccccc1)C(=O)O\C(=C\C)C |
| SPLASH | splash10-0a4i-5900000000-00d3a60b9c63068146fc |
| Source of Spectrum | A1-14-3716/SMS22-4q(E)_isomer |
| Wiley ID | 1750411 |