| SpectraBase Compound ID | 6nGSyTfudRp |
|---|---|
| InChI | InChI=1S/C10H18O4/c1-8(7-10(12)14-3)5-4-6-9(11)13-2/h8H,4-7H2,1-3H3 |
| InChIKey | HJRDWNWLAOQATD-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 | FQDUjnzQ1IT |
|---|---|
| Name | HEPTANEDIOIC ACID, 3-METHYL-, DIMETHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C10H18O4 |
| InChI | InChI=1S/C10H18O4/c1-8(7-10(12)14-3)5-4-6-9(11)13-2/h8H,4-7H2,1-3H3 |
| InChIKey | HJRDWNWLAOQATD-UHFFFAOYSA-N |
| Molecular Weight | 202.1200 |
| SMILES | COC(CC(C)CCCC(OC)=O)=O |
| SPLASH | splash10-06g4-9400000000-a35f4301a4ed6c1c2edf |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |