| SpectraBase Compound ID | IrHscgJF7ZQ |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-3-4-5-7(9)6-8(10)11-2/h3-6H2,1-2H3 |
| InChIKey | CZTKGERSDUGZPQ-UHFFFAOYSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jqf1I9Q5kfl |
|---|---|
| Name | 3-Oxo-heptanoic acid, methyl ester |
| CAS Registry Number | 39815-78-6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-3-4-5-7(9)6-8(10)11-2/h3-6H2,1-2H3 |
| InChIKey | CZTKGERSDUGZPQ-UHFFFAOYSA-N |
| Literature Reference | D.F. Taber, R.E. Ruckle, J. Am. Chem. Soc. 108, 7686 (1986). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |