| SpectraBase Compound ID | ANuaJoPuqKT |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-6(4-8(10)11-3)5-12-7(2)9/h4H,5H2,1-3H3/b6-4+ |
| InChIKey | IWSSYQRZTKDYFQ-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 | JhwvBBnYTDy |
|---|---|
| Name | 4-ACETOXY-3-METHYLBUT-2-ENOIC ACID, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c1-6(4-8(10)11-3)5-12-7(2)9/h4H,5H2,1-3H3/b6-4+ |
| InChIKey | IWSSYQRZTKDYFQ-GQCTYLIASA-N |
| Molecular Weight | 172.0732 |
| SMILES | CC(OC\C(=C\C(=O)OC)C)=O |
| SPLASH | splash10-0007-9200000000-da173afb7efed1ce2903 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |