| SpectraBase Compound ID | EBS89r99eUK |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-4-6(8)5(2)7(9)10-3/h5H,4H2,1-3H3 |
| InChIKey | AVNZOGNVFGETNQ-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 | 6iDN79uTZkj |
|---|---|
| Name | PENTANOIC ACID, 2-METHYL-3-OXO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-4-6(8)5(2)7(9)10-3/h5H,4H2,1-3H3 |
| InChIKey | AVNZOGNVFGETNQ-UHFFFAOYSA-N |
| Molecular Weight | 144.0783 |
| SMILES | CCC(C(C(OC)=O)C)=O |
| SPLASH | splash10-0a4i-9000000000-c99daf8b08a481b5d0d8 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |