| SpectraBase Compound ID | IOQkMBtG808 |
|---|---|
| InChI | InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3 |
| InChIKey | WRQNANDWMGAFTP-UHFFFAOYSA-N |
| Mol Weight | 116.12 g/mol |
| Molecular Formula | C5H8O3 |
| Exact Mass | 116.047344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9XEC0iCFcwh |
|---|---|
| Name | BUTANOIC ACID, 3-OXO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C5H8O3 |
| InChI | InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3 |
| InChIKey | WRQNANDWMGAFTP-UHFFFAOYSA-N |
| Instrument Name | CH4 |
| Molecular Weight | 116.0471 |
| SMILES | CC(CC(OC)=O)=O |
| SPLASH | splash10-0006-9000000000-d72bcc94de7990d6800f |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |