| SpectraBase Compound ID | 3gsslasyFdz |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-6(8(10)12-3)4-5-7(9)11-2/h4H,5H2,1-3H3/b6-4+ |
| InChIKey | NMQOICPWQBMMFF-GQCTYLIASA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C8H12O4 |
| Exact Mass | 172.073559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 84rahdE3jwu |
|---|---|
| Name | 2-PENTENEDIOIC ACID, 2-METHYL-, DIMETHYL ESTER |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c1-6(8(10)12-3)4-5-7(9)11-2/h4H,5H2,1-3H3/b6-4+ |
| InChIKey | NMQOICPWQBMMFF-GQCTYLIASA-N |
| Instrument Name | CH7 |
| Molecular Weight | 172.0732 |
| SMILES | COC(\C(=C\CC(OC)=O)C)=O |
| SPLASH | splash10-08fr-9400000000-5f38b957ab63475f44ba |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |