| SpectraBase Compound ID | 1pyBoTIs0KF |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey | XCLDSQRVMMXWMS-UHFFFAOYSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LWgTa8LhVbJ |
|---|---|
| Name | PENTANOIC ACID, 4-METHYL-3-OXO-, ETHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-4-11-8(10)5-7(9)6(2)3/h6H,4-5H2,1-3H3 |
| InChIKey | XCLDSQRVMMXWMS-UHFFFAOYSA-N |
| Molecular Weight | 158.0939 |
| SMILES | CC(C)C(=O)CC(=O)OCC |
| SPLASH | splash10-0006-9200000000-627172b9874a4036263a |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |