| SpectraBase Spectrum ID |
3zY7OUBx4vR |
| Name |
1,3-[15N2]-[13C]-Theophylline (BS-7-189-23) |
| Comments |
Original formula: C6[13C]H8N2[15N]2O2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H8N4O2 |
| InChI |
InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)/i7+1,10+1,11+1 |
| InChIKey |
ZFXYFBGIUFBOJW-NBLDSOAPSA-N |
| Molecular Weight |
183.146 g/mol |
| SMILES |
[nH]1cnc2[15N]([13C]([15N](C(c12)=O)C)=O)C |
| SPLASH |
splash10-00lv-9300000000-4fe040942543fdbab0b2 |
| Source of Spectrum |
MZ-0-0-2 |
| Synonyms |
(1,3-¹5N,2-¹³C)Theophylline |
| Wiley ID |
860287 |
![1,3-[15N2]-[13C]-Theophylline (BS-7-189-23)](/api/spectrum/3zY7OUBx4vR/structure.png?h=300&w=458 "1,3-[15N2]-[13C]-Theophylline (BS-7-189-23)")
