| SpectraBase Spectrum ID |
KETlUcoYSyo |
| Name |
Caffeine-d3 |
| Catalog Number |
18247 |
| CAS Registry Number |
26351-03-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H7D3N4O2 |
| InChI |
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i3D3 |
| InChIKey |
RYYVLZVUVIJVGH-HPRDVNIFSA-N |
| Molecular Weight |
197.212 g/mol |
| SMILES |
C1(N(C(c2c(N1C)nc[n]2C)=O)C([D])([D])[D])=O |
| SPLASH |
splash10-052b-6900000000-87c79c9e400730d13f00 |
| Source of Spectrum |
CAY-2023-465-0 |
| Wiley ID |
1888430 |
