| SpectraBase Compound ID | 3obw5czmxTC |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-5-12-9(11)8(6(2)3)7(4)10/h6,8H,5H2,1-4H3 |
| InChIKey | DMIFFKCVURTPTG-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fqwj2jPjUbH |
|---|---|
| Name | BUTANOIC ACID, 2-ACETYL-3-METHYL-, ETHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-5-12-9(11)8(6(2)3)7(4)10/h6,8H,5H2,1-4H3 |
| InChIKey | DMIFFKCVURTPTG-UHFFFAOYSA-N |
| Molecular Weight | 172.1095 |
| SMILES | CC(C(C(C)C)C(OCC)=O)=O |
| SPLASH | splash10-015l-9600000000-f048b86947e6c5ff670c |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |