| SpectraBase Compound ID | BOLhkHVZiVT |
|---|---|
| InChI | InChI=1S/C6H6O3/c1-4-2-9-3-5(4)6(7)8/h2-3H,1H3,(H,7,8)/i3D |
| InChIKey | XOEFJYKFWPVPNZ-WFVSFCRTSA-N |
| Mol Weight | 127.12 g/mol |
| Molecular Formula | C6H5DO3 |
| Exact Mass | 127.037971 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9lMzOFxwr5D |
|---|---|
| Name | 2-Deuteuio-4-methylfuran-3-carboxylic Acid |
| CAS Registry Number | 101870-15-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H5DO3 |
| InChI | InChI=1S/C6H6O3/c1-4-2-9-3-5(4)6(7)8/h2-3H,1H3,(H,7,8)/i3D |
| InChIKey | XOEFJYKFWPVPNZ-WFVSFCRTSA-N |
| Molecular Weight | 127.117 g/mol |
| SMILES | OC(c1c(coc1[D])C)=O |
| SPLASH | splash10-004i-3900000000-bfba587281260952ad66 |
| Source of Spectrum | KC-1990-1605-20 |
| Wiley ID | 1129735 |