| SpectraBase Compound ID | GsOwtf3OQav |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-7(9(11)13-3)5-4-6-8(10)12-2/h7H,4-6H2,1-3H3 |
| InChIKey | NWQGXNKQFIEUPY-UHFFFAOYSA-N |
| Mol Weight | 188.22 g/mol |
| Molecular Formula | C9H16O4 |
| Exact Mass | 188.104859 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cau7TXz1Hhe |
|---|---|
| Name | HEXANEDIOIC ACID, 2-METHYL-, DIMETHYL ESTER |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C9H16O4 |
| InChI | InChI=1S/C9H16O4/c1-7(9(11)13-3)5-4-6-8(10)12-2/h7H,4-6H2,1-3H3 |
| InChIKey | NWQGXNKQFIEUPY-UHFFFAOYSA-N |
| Molecular Weight | 188.1044 |
| SMILES | COC(C(CCCC(OC)=O)C)=O |
| SPLASH | splash10-0ar9-9400000000-665134fc9ceaa49b9e5b |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |