| SpectraBase Spectrum ID |
GOkpAtfNE24 |
| Name |
Isonicotinic acid-alpha.alpha.-D2 |
| Alternate Name(s) |
2,6-Dideutero pyridine-4-carboxylic acid
Isonicotinic acid-.alpha.-D2 |
| CAS Registry Number |
55090-49-8 |
| 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)5-1-3-7-4-2-5/h1-4H,(H,8,9)/i3D,4D |
| InChIKey |
TWBYWOBDOCUKOW-NMQOAUCRSA-N |
| Molecular Weight |
125.123 g/mol |
| SMILES |
OC(=O)c1cc([D])nc(c1)[D] |
| SPLASH |
splash10-004i-0900000000-1cbeac0b32733f56bcc7 |
| Source of Spectrum |
O-5-736-3 |
| Wiley ID |
4315 |
