| SpectraBase Compound ID | I2YYzH5gdrC |
|---|---|
| InChI | InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3/i2D2 |
| InChIKey | XBLVHTDFJBKJLG-CBTSVUPCSA-N |
| Mol Weight | 153.18 g/mol |
| Molecular Formula | C8H7D2NO2 |
| Exact Mass | 153.075882 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 43FvlJPLdrO |
|---|---|
| Name | Nicotinic acid,1,1-dideuteroethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7D2NO2 |
| InChI | InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3/i2D2 |
| InChIKey | XBLVHTDFJBKJLG-CBTSVUPCSA-N |
| Molecular Weight | 153.177 g/mol |
| SMILES | C(c1cnccc1)(=O)OC(C)([D])[D] |
| SPLASH | splash10-0a4i-0900000000-d1df9e0ae4d0de9ca3a1 |
| Source of Spectrum | N2-1973-41-0 |
| Wiley ID | 1148197 |