| SpectraBase Compound ID | KZLQYJMyWeR |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3 |
| InChIKey | PRDJGEFZGPKCSG-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6EmMKWMlEN6 |
|---|---|
| Name | 3-OXO-5-PHENYLPENTANOIC ACID, ETHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-2-16-13(15)10-12(14)9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3 |
| InChIKey | PRDJGEFZGPKCSG-UHFFFAOYSA-N |
| Molecular Weight | 220.1095 |
| SMILES | c1(CCC(CC(OCC)=O)=O)ccccc1 |
| SPLASH | splash10-0f9x-9700000000-2454b2ab060bbac48e18 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |