| SpectraBase Compound ID | 6Yw3WXBChno |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+/i1D3,2D3 |
| InChIKey | IEPRKVQEAMIZSS-MPLSCHIPSA-N |
| Mol Weight | 178.22 g/mol |
| Molecular Formula | C8H6D6O4 |
| Exact Mass | 178.111219 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JZ97Ugv1AH |
|---|---|
| Name | (E)-2-Butenedioic acid di(2,2,2-trideuterioethyl) ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6D6O4 |
| InChI | InChI=1S/C8H12O4/c1-3-11-7(9)5-6-8(10)12-4-2/h5-6H,3-4H2,1-2H3/b6-5+/i1D3,2D3 |
| InChIKey | IEPRKVQEAMIZSS-MPLSCHIPSA-N |
| Molecular Weight | 178.217 g/mol |
| SMILES | C(\C=C\C(=O)OCC([D])([D])[D])(=O)OCC([D])([D])[D] |
| SPLASH | splash10-0f89-0900000000-cd3fc56e5186480c3a13 |
| Source of Spectrum | O-22-285-7 |
| Wiley ID | 1168520 |