| SpectraBase Compound ID | LRPtJrzv1Qw |
|---|---|
| InChI | InChI=1S/C13H16O2/c14-13(15-12-7-4-8-12)10-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2 |
| InChIKey | FBICQSJUVBTNRV-UHFFFAOYSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hp43EBr5ZJw |
|---|---|
| Name | 3-Phenylpropanoic acid, cyclobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c14-13(15-12-7-4-8-12)10-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2 |
| InChIKey | FBICQSJUVBTNRV-UHFFFAOYSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C1=CC=C(C=C1)CCC(OC1CCC1)=O |