| SpectraBase Compound ID | 5SJCRvvkeKS |
|---|---|
| InChI | InChI=1S/C13H14O5/c14-11(6-7-12(15)16)8-13(17)18-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16) |
| InChIKey | MSUHOIIHBLDWSC-UHFFFAOYSA-N |
| Mol Weight | 250.25 g/mol |
| Molecular Formula | C13H14O5 |
| Exact Mass | 250.084124 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5tI9fgU8gLx |
|---|---|
| Name | 3-OXOHEXANEDIOIC ACID, 1-BENZYL ESTER |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C13H14O5 |
| InChI | InChI=1S/C13H14O5/c14-11(6-7-12(15)16)8-13(17)18-9-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16) |
| InChIKey | MSUHOIIHBLDWSC-UHFFFAOYSA-N |
| Molecular Weight | 250.0837 |
| SMILES | OC(=O)CCC(=O)CC(=O)OCc1ccccc1 |
| SPLASH | splash10-05ox-9300000000-a274fac251f16958c5b0 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |