| SpectraBase Compound ID | GCsiyBqox8z |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-3-10(2)14-12(13)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3 |
| InChIKey | ZTPYZNJPAOHMRG-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 | L3jivSlWnlw |
|---|---|
| Name | Benzeneacetic acid, 2-butyl ester |
| 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/c1-3-10(2)14-12(13)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3 |
| InChIKey | ZTPYZNJPAOHMRG-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C1=CC(CC(=O)OC(CC)C)=CC=C1 |