| SpectraBase Compound ID | FuQgzIujT3k |
|---|---|
| InChI | InChI=1S/C12H14O3/c1-3-11(14)12(15-9(2)13)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3 |
| InChIKey | OCUPFCUGNMHNCS-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C12H14O3 |
| Exact Mass | 206.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E6S6xkXFWIP |
|---|---|
| Name | 1-Acetoxy-1-phenyl-2-butanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.094294308 u |
| Formula | C12H14O3 |
| InChI | InChI=1S/C12H14O3/c1-3-11(14)12(15-9(2)13)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3 |
| InChIKey | OCUPFCUGNMHNCS-UHFFFAOYSA-N |
| Molecular Weight | 206.241 g/mol |
| SMILES | C(OC(=O)C)(C(=O)CC)C=1C=CC=CC1 |