| SpectraBase Compound ID | 5rlrybPtaSc |
|---|---|
| InChI | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D |
| InChIKey | WPYMKLBDIGXBTP-RALIUCGRSA-N |
| Mol Weight | 127.15 g/mol |
| Molecular Formula | C7HD5O2 |
| Exact Mass | 127.068163 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2ZEKk8rXE0 |
|---|---|
| Name | 2,3,4,5,6-Pentadeuteriobenzoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7HD5O2 |
| InChI | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/i1D,2D,3D,4D,5D |
| InChIKey | WPYMKLBDIGXBTP-RALIUCGRSA-N |
| Molecular Weight | 127.154 g/mol |
| SMILES | OC(=O)c1c(c([D])c(c(c1[D])[D])[D])[D] |
| SPLASH | splash10-0h0r-7900000000-844de399814a2305ba60 |
| Source of Spectrum | UE-15-0-0 |
| Synonyms | Benzoic acid, 2,3,4,5,6-pentadeutero- |
| Wiley ID | 1127836 |