| SpectraBase Spectrum ID |
BiguFzxMvBG |
| Name |
.delta.1,O2-Methyl theobromine (2-O-methyl caffeine) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H10N4O2 |
| InChI |
InChI=1S/C8H10N4O2/c1-11-4-9-6-5(11)7(13)10-8(14-3)12(6)2/h4H,1-3H3 |
| InChIKey |
ATTWHHINMNPETB-UHFFFAOYSA-N |
| Molecular Weight |
194.194 g/mol |
| SMILES |
C1(=NC(c2[n](cnc2N1C)C)=O)OC |
| SPLASH |
splash10-0006-1900000000-614a069528e040d9144e |
| Source of Spectrum |
Y1-41B-1095-2 |
| Synonyms |
.delta.1, O2-Methyl theobromine
2-Methoxy-3,7-dimethyl-6-purinone
2-Methoxy-3,7-dimethylpurin-6-one
2-O-Methyl analog of caffeine
2-Methoxy-3,7-dimethyl-3H-purin-6(7H)-one |
| Wiley ID |
1744161 |
