| SpectraBase Compound ID | 4wijfo51WlO |
|---|---|
| InChI | InChI=1S/C13H14O3/c1-16-13(15)8-11-10-5-3-2-4-9(10)6-7-12(11)14/h2-5,11H,6-8H2,1H3 |
| InChIKey | AVLHEBLMJQSCNH-UHFFFAOYSA-N |
| Mol Weight | 218.25 g/mol |
| Molecular Formula | C13H14O3 |
| Exact Mass | 218.094294 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HtTowqyGrMr |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H13O3D |
| InChI | InChI=1S/C13H14O3/c1-16-13(15)8-11-10-5-3-2-4-9(10)6-7-12(11)14/h2-5,11H,6-8H2,1H3 |
| InChIKey | AVLHEBLMJQSCNH-UHFFFAOYSA-N |
| Molecular Weight | 218.0939 |
| SMILES | c1cccc2CCC(=O)C(CC(OC)=O)c12 |
| SPLASH | splash10-0670-1900000000-a37c303b5bdb55e37870 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |