| SpectraBase Spectrum ID |
J0H63eLUyOp |
| Name |
8-[(2-Acetoxyethoxy)carbonylmethyl]caffeine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18N4O6 |
| InChI |
InChI=1S/C14H18N4O6/c1-8(20)23-5-6-24-9(7-19)11-15-12-10(16(11)2)13(21)18(4)14(22)17(12)3/h7,9H,5-6H2,1-4H3 |
| InChIKey |
KDAMGCUAJYXRSN-UHFFFAOYSA-N |
| Molecular Weight |
338.320 g/mol |
| SMILES |
c12c(N(C)C(N(C2=O)C)=O)nc([n]1C)C(C=O)OCCOC(=O)C |
| SPLASH |
splash10-000i-9005000000-d74d8037d76e35ea3271 |
| Source of Spectrum |
AJ-65-2048-5 |
| Synonyms |
2-[2-oxo-1-(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)ethoxy]ethyl acetate |
| Wiley ID |
771492 |
![8-[(2-Acetoxyethoxy)carbonylmethyl]caffeine](/api/spectrum/J0H63eLUyOp/structure.png?h=300&w=458 "8-[(2-Acetoxyethoxy)carbonylmethyl]caffeine")
