| SpectraBase Compound ID | BAVQSwCOup2 |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-3-4-5-6(8)7(9)10-2/h3-5H2,1-2H3 |
| InChIKey | GJIQBFATAJWGCL-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 | eURFeX04AN |
|---|---|
| Name | HEXANOIC ACID, 2-OXO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-3-4-5-6(8)7(9)10-2/h3-5H2,1-2H3 |
| InChIKey | GJIQBFATAJWGCL-UHFFFAOYSA-N |
| Molecular Weight | 144.0783 |
| SMILES | CCCCC(=O)C(OC)=O |
| SPLASH | splash10-0a4u-9000000000-9d1aa0f5e6ee25d3a99f |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |