| SpectraBase Compound ID | 8wEZrg8rbP |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-4-5(2)6(8)7(9)10-3/h5H,4H2,1-3H3 |
| InChIKey | ZPSBJVARKCHQDF-UHFFFAOYSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C7H12O3 |
| Exact Mass | 144.078644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IU7M6nc2c1C |
|---|---|
| Name | PENTANOIC ACID, 3-METHYL-2-OXO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-4-5(2)6(8)7(9)10-3/h5H,4H2,1-3H3 |
| InChIKey | ZPSBJVARKCHQDF-UHFFFAOYSA-N |
| Instrument Name | CH4 |
| Molecular Weight | 144.0783 |
| SMILES | CCC(C(C(OC)=O)=O)C |
| SPLASH | splash10-0a6r-9000000000-40b797a042592ffea39b |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |