| SpectraBase Spectrum ID |
DA7OfIspVxW |
| Name |
Nicotinic acid-.alpha.,.alpha.'-D2 |
| Alternate Name(s) |
2,6-Dideuterio pyridine-3-carboxylic acid |
| CAS Registry Number |
17265-93-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H3D2NO2 |
| InChI |
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i3D,4D |
| InChIKey |
PVNIIMVLHYAWGP-NMQOAUCRSA-N |
| Molecular Weight |
125.123 g/mol |
| SMILES |
OC(c1c(nc(cc1)[D])[D])=O |
| SPLASH |
splash10-056r-0900000000-6c34e3e6b5cce7bc0757 |
| Source of Spectrum |
O-5-740-5 |
| Wiley ID |
4312 |
