| SpectraBase Compound ID | DRx3o6lBmmI |
|---|---|
| InChI | InChI=1S/C9H14O4/c1-4-13-9(12)5-8(6(2)10)7(3)11/h8H,4-5H2,1-3H3 |
| InChIKey | NKGFIBABDQHCHZ-UHFFFAOYSA-N |
| Mol Weight | 186.21 g/mol |
| Molecular Formula | C9H14O4 |
| Exact Mass | 186.089209 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4jLcux13tFg |
|---|---|
| Name | PENTANOIC ACID, 3-ACETYL-4-OXO-, ETHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H14O4 |
| InChI | InChI=1S/C9H14O4/c1-4-13-9(12)5-8(6(2)10)7(3)11/h8H,4-5H2,1-3H3 |
| InChIKey | NKGFIBABDQHCHZ-UHFFFAOYSA-N |
| Molecular Weight | 186.0888 |
| SMILES | CC(C(CC(=O)OCC)C(=O)C)=O |
| SPLASH | splash10-0007-9300000000-214d837dba215d92b64b |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |