| SpectraBase Compound ID | 8xCzJAgfFYt |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-8-7-10-11(15)12(3,4)13(8,17-16-10)6-5-9(2)14/h5-7,10H,1-4H3/b6-5+/t10-,13+/m1/s1 |
| InChIKey | PXYSPCLZADTBLJ-ZWXQHPBJSA-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 | BLsCojeK66E |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-8-7-10-11(15)12(3,4)13(8,17-16-10)6-5-9(2)14/h5-7,10H,1-4H3/b6-5+/t10-,13+/m1/s1 |
| InChIKey | PXYSPCLZADTBLJ-ZWXQHPBJSA-N |
| Molecular Weight | 236.1044 |
| SMILES | C1(=O)[C@]2(C=C(C)[C@](\C=C\C(C)=O)(OO2)C1(C)C)[H] |
| SPLASH | splash10-0007-9400000000-edf04ea382fe4ed7c829 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |