| SpectraBase Spectrum ID |
5CRmhYwCD6l |
| Name |
Caffeine-8-d |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
195.086652322 u |
| Formula |
C8H9DN4O2 |
| InChI |
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i4D |
| InChIKey |
RYYVLZVUVIJVGH-QYKNYGDISA-N |
| Instrument Name |
AMD 402 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202200204 |
| Molecular Weight |
195.200 g/mol |
| Quality |
707 |
| SMILES |
C1(N(C(N(C2=C1N(C(=N2)[D])C)C)=O)C)=O |
| SPLASH |
splash10-0002-4900000000-d65b6ff28aab442b1e9b |
| Source of Spectrum |
K1-2022-SM98-30-d (DOI: 10.1002/ejoc.202200204) |
| Wiley ID |
1910378 |
