| SpectraBase Spectrum ID |
4WRbRHuMFbB |
| Name |
8-CHLOROCAFFEINE |
| Source of Sample |
Eastman Organic Chemicals, Rochester, New York |
| Comments |
Tentative assignment |
| Copyright |
Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H9ClN4O2 |
| InChI |
InChI=1S/C8H9ClN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3 |
| InChIKey |
HGKPGBJNNATDRR-UHFFFAOYSA-N |
| Melting Point |
185-189C |
| Molecular Weight |
228.64 |
| Solvent |
Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| Synonyms |
CAFFEINE, 8-CHLORO-, |
