| SpectraBase Compound ID | HunRgmTmcRh |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-4-7(9)6(3)8(10)11-5-2/h6H,4-5H2,1-3H3 |
| InChIKey | YXZUMIRYUCTIGL-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 | HIqaMknI58V |
|---|---|
| Name | PENTANOIC ACID, 2-METHYL-3-OXO-, ETHYL ESTER |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-4-7(9)6(3)8(10)11-5-2/h6H,4-5H2,1-3H3 |
| InChIKey | YXZUMIRYUCTIGL-UHFFFAOYSA-N |
| Molecular Weight | 158.0939 |
| SMILES | CCC(C(C(OCC)=O)C)=O |
| SPLASH | splash10-0a6r-9200000000-d52c3ebebb7979939685 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |