| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GE4b4b5pR9D |
|---|---|
| Name | HEPTANOIC ACID, 3-OXO-, METHYL ESTER |
| 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 |
| Molecular Weight | 158.0939 |
| SMILES | CCCCC(CC(OC)=O)=O |
| SPLASH | splash10-0ap3-9100000000-74af3a51a65c37655155 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |