| SpectraBase Spectrum ID |
4G7mQ6zC2kz |
| Name |
D4-pyridine-4-carboxylic acid |
| Alternate Name(s) |
2,3,5,6-Tetradeuterio pyridine-4-carboxylic acid
Isonicotinic acid-.alpha.,.beta.-D4
2,3,5,6-tetradeuterio-4-pyridinecarboxylic acid
2,3,5,6-tetradeuteriopyridine-4-carboxylic acid |
| CAS Registry Number |
53907-55-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6HD4NO2 |
| InChI |
InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/i1D,2D,3D,4D |
| InChIKey |
TWBYWOBDOCUKOW-RHQRLBAQSA-N |
| Molecular Weight |
127.135 g/mol |
| SMILES |
OC(=O)c1c(c([D])nc(c1[D])[D])[D] |
| SPLASH |
splash10-004i-0900000000-a127bcfc7766401e9b9d |
| Source of Spectrum |
O-5-736-7 |
| Wiley ID |
4313 |
