| SpectraBase Compound ID | Fs6WWYKYL1j |
|---|---|
| InChI | InChI=1S/C11H12O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h2,4-8H,1,3,9H2 |
| InChIKey | HCAQKYMCZZDLGU-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C11H12O2 |
| Exact Mass | 176.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7UTwZxCm6mc |
|---|---|
| Name | 3-Butenyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.083729624 u |
| Formula | C11H12O2 |
| InChI | InChI=1S/C11H12O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h2,4-8H,1,3,9H2 |
| InChIKey | HCAQKYMCZZDLGU-UHFFFAOYSA-N |
| Molecular Weight | 176.215 g/mol |
| SMILES | C(=O)(C1=CC=CC=C1)OCCC=C |