| SpectraBase Compound ID | InCc4jbxNGk |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3,5H,4,6H2,1-2H3/b5-3+ |
| InChIKey | QPFMISCWBTXLFC-HWKANZROSA-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 | 7dPmUHEVzWF |
|---|---|
| Name | 2-HEXENEDIOIC ACID, DIMETHYL ESTER, (E)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3,5H,4,6H2,1-2H3/b5-3+ |
| InChIKey | QPFMISCWBTXLFC-HWKANZROSA-N |
| Instrument Name | CH5 |
| Molecular Weight | 172.0732 |
| SMILES | COC(\C=C\CCC(OC)=O)=O |
| SPLASH | splash10-0536-9400000000-a31aaeeb3d8a83ff1035 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |