| SpectraBase Compound ID | ksUEpJT1xX |
|---|---|
| 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-HYXAFXHYSA-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 | 59NQUtiBt8C |
|---|---|
| Name | 2-HEXENEDIOIC ACID, DIMETHYL ESTER, (Z)- |
| 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-HYXAFXHYSA-N |
| Instrument Name | CH5 |
| Molecular Weight | 172.0732 |
| SMILES | COC(\C=C/CCC(OC)=O)=O |
| SPLASH | splash10-0536-9400000000-b55bd44885d865d9ea5c |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |