| SpectraBase Compound ID | IzfaZkZ1a88 |
|---|---|
| InChI | InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3/i3D,4D |
| InChIKey | MCRPKBUFXAKDKI-NMQOAUCRSA-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 | 6Z6PERdX4cU |
|---|---|
| Name | Ethyl ester of 3,5-dideuterio-isonicotinic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7D2NO2 |
| InChI | InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3/i3D,4D |
| InChIKey | MCRPKBUFXAKDKI-NMQOAUCRSA-N |
| Molecular Weight | 153.177 g/mol |
| SMILES | C(=O)(c1c(cncc1[D])[D])OCC |
| SPLASH | splash10-0pdi-0900000000-10f72f6c83b1a6db8ff2 |
| Source of Spectrum | N2-40-8-0 |
| Wiley ID | 1148202 |