| SpectraBase Spectrum ID |
7AmJRV8JO9M |
| Name |
Isonicotinic acid-D1-beta..beta.-D2 |
| CAS Registry Number |
55090-50-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H2D3NO2 |
| InChI |
InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)/i1D,2D/hD |
| InChIKey |
TWBYWOBDOCUKOW-ILCKQIEWSA-N |
| Molecular Weight |
126.129 g/mol |
| SMILES |
C(=O)(c1c(cncc1[D])[D])O[D] |
| SPLASH |
splash10-004i-0900000000-be1ec8a88de66250b0b2 |
| Source of Spectrum |
O-5-736-6 |
| Synonyms |
3,5-Dideutero pyridine-4-carboxylic acid-d1
Isonicotinic acid-D1-.beta.-D2 |
| Wiley ID |
4318 |
