| SpectraBase Compound ID | 5ihIeL4zomM |
|---|---|
| InChI | InChI=1S/C10H18O4/c1-8(10(12)14-3)6-4-5-7-9(11)13-2/h8H,4-7H2,1-3H3 |
| InChIKey | KNHPIDSTNJTCOI-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C10H18O4 |
| Exact Mass | 202.120509 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3KipwVtVsBu |
|---|---|
| Name | HEPTANEDIOIC ACID, 2-METHYL-, DIMETHYL ESTER |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C10H18O4 |
| InChI | InChI=1S/C10H18O4/c1-8(10(12)14-3)6-4-5-7-9(11)13-2/h8H,4-7H2,1-3H3 |
| InChIKey | KNHPIDSTNJTCOI-UHFFFAOYSA-N |
| Molecular Weight | 202.1200 |
| SMILES | COC(C(CCCCC(OC)=O)C)=O |
| SPLASH | splash10-0ap3-9300000000-12c9e4a3b5d6cdf79042 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |