| SpectraBase Compound ID | KEWjcsE1V50 |
|---|---|
| InChI | InChI=1S/C9H14O5/c1-13-8(11)5-3-7(10)4-6-9(12)14-2/h3-6H2,1-2H3 |
| InChIKey | IUDRJCMDRZEFGO-UHFFFAOYSA-N |
| Mol Weight | 202.21 g/mol |
| Molecular Formula | C9H14O5 |
| Exact Mass | 202.084124 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HfJcmCg6EaU |
|---|---|
| Name | HEPTANEDIOIC ACID, 4-OXO-, DIMETHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H14O5 |
| InChI | InChI=1S/C9H14O5/c1-13-8(11)5-3-7(10)4-6-9(12)14-2/h3-6H2,1-2H3 |
| InChIKey | IUDRJCMDRZEFGO-UHFFFAOYSA-N |
| Molecular Weight | 202.0837 |
| SMILES | COC(CCC(CCC(OC)=O)=O)=O |
| SPLASH | splash10-0aor-9500000000-bfe0c5b08a6ec9d87dfb |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |