| SpectraBase Spectrum ID |
29H9LMLDxnB |
| Name |
8-Chlorotheophylline ME |
| Classification |
Sedative |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
228.041403244 u |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
228.639 g/mol |
| SMILES |
CN1c2nc(Cl)[n](C)c2C(N(C1=O)C)=O |
| SPLASH |
splash10-05rr-9550000000-8305328b8a588454f18d |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: UME |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2195 |
