| SpectraBase Compound ID | 3AB1nR6QsbJ |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-16-12(14)9-11(13(15)17-2)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3 |
| InChIKey | RWYYXMPWROIWLA-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 | 1lDCTAqyTcK |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-16-12(14)9-11(13(15)17-2)8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3 |
| InChIKey | RWYYXMPWROIWLA-UHFFFAOYSA-N |
| Molecular Weight | 236.1044 |
| SMILES | c1ccc(CC(C(OC)=O)CC(OC)=O)cc1 |
| SPLASH | splash10-02wc-3900000000-3733ed52a35439da1242 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |