| SpectraBase Compound ID | BsA9XpT7m0B |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-6(8)4-3-5-7(9)10-2/h3-5H2,1-2H3 |
| InChIKey | AVVPOKSKJSJVIX-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 | GZX43BTSdxI |
|---|---|
| Name | 5-Oxocaproic acid methyu ester |
| Alternate Name(s) | 5-Oxohexanoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-6(8)4-3-5-7(9)10-2/h3-5H2,1-2H3 |
| InChIKey | AVVPOKSKJSJVIX-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 144.170 g/mol |
| SMILES | COC(=O)CCCC(C)=O |
| SPLASH | splash10-059f-9200000000-1b39cb05e198e50cfaf2 |
| Source of Spectrum | SRH-2022-4235-0 |
| Wiley ID | 1826396 |