| SpectraBase Compound ID | IPvXMTZ2pJ1 |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-5(2)7(9)6(3)8(10)11-4/h5-6H,1-4H3 |
| InChIKey | GCXQFZHZPBLGKA-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 | 4bi7zXMGjnv |
|---|---|
| Name | PENTANOIC ACID, 2,4-DIMETHYL-3-OXO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-5(2)7(9)6(3)8(10)11-4/h5-6H,1-4H3 |
| InChIKey | GCXQFZHZPBLGKA-UHFFFAOYSA-N |
| Molecular Weight | 158.0939 |
| SMILES | CC(C(C(C(OC)=O)C)=O)C |
| SPLASH | splash10-0006-9000000000-0ce2eb5ca20acbc8ee66 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |