| SpectraBase Compound ID | 1oNnHSIhTvE |
|---|---|
| InChI | InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+/i2D,5D |
| InChIKey | XXHDAWYDNSXJQM-LYMUSSEMSA-N |
| Mol Weight | 116.16 g/mol |
| Molecular Formula | C6H8D2O2 |
| Exact Mass | 116.080633 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J2mNpBUoQBf |
|---|---|
| Name | (E)-2,5-Dideuteriohex-3-enoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H8D2O2 |
| InChI | InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+/i2D,5D |
| InChIKey | XXHDAWYDNSXJQM-LYMUSSEMSA-N |
| Molecular Weight | 116.156 g/mol |
| SMILES | OC(C(\C=C\C(C)[D])[D])=O |
| SPLASH | splash10-0avl-9200000000-aec440d005c6bf323ae6 |
| Source of Spectrum | QF-8-4496-8 |
| Synonyms | (E)-2,5-Dideuterio-3-hexenoic acid |
| Wiley ID | 1558040 |