| SpectraBase Compound ID | Lc4a0EwWc8I |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-3-9-14-12(13)11-7-5-10(4-2)6-8-11/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | WDYZSLQVKDHVME-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GNiKtmUcla7 |
|---|---|
| Name | Propyl 4-ethylbenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-3-9-14-12(13)11-7-5-10(4-2)6-8-11/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | WDYZSLQVKDHVME-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C1(C(OCCC)=O)=CC=C(C=C1)CC |