| 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 |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6nDg7gJOhOv |
|---|---|
| Name | 2-Hexenedioic acid, dimethyl ester, (Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.073558862 u |
| 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 |
| Molecular Weight | 172.180 g/mol |
| SMILES | C(=O)(OC)\C=C/CCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982921 |