| SpectraBase Spectrum ID |
KHMLaWPL2uJ |
| Name |
1,3-[15N2]-[13C]-Caffeine (BS-7-189-24) |
| Comments |
Original formula: C7[13C]H10N2[15N]2O2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H10N4O2 |
| InChI |
InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i8+1,11+1,12+1 |
| InChIKey |
RYYVLZVUVIJVGH-CIZOTAAMSA-N |
| Molecular Weight |
197.173 g/mol |
| SMILES |
C[15N]1[13C]([15N](c2c(C1=O)[n](cn2)C)C)=O |
| SPLASH |
splash10-07bb-9700000000-2d012f45270f5fc3ea97 |
| Source of Spectrum |
MZ-0-0-3 |
| Wiley ID |
860286 |
![1,3-[15N2]-[13C]-Caffeine (BS-7-189-24)](/api/spectrum/KHMLaWPL2uJ/structure.png?h=300&w=458 "1,3-[15N2]-[13C]-Caffeine (BS-7-189-24)")
