| SpectraBase Compound ID | DLTnjS0bbC9 |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3 |
| InChIKey | FGYDHYCFHBSNPE-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 46Q8KX8q2Fx |
|---|---|
| Name | PHENYLMALONIC ACID, DIETHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-3-16-12(14)11(13(15)17-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3 |
| InChIKey | FGYDHYCFHBSNPE-UHFFFAOYSA-N |
| Molecular Weight | 236.1044 |
| SMILES | c1cccc(C(C(OCC)=O)C(OCC)=O)c1 |
| SPLASH | splash10-03du-6900000000-f5db6b74b8e77c5176c9 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |