| SpectraBase Spectrum ID |
2fEBY2pcci |
| Name |
8-Chlorotheophylline ET |
| Classification |
Sedative |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
242.057053308 u |
| Formula |
C9H11ClN4O2 |
| InChI |
InChI=1S/C9H11ClN4O2/c1-4-14-5-6(11-8(14)10)12(2)9(16)13(3)7(5)15/h4H2,1-3H3 |
| InChIKey |
YNXZXEOEAYULHC-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
242.666 g/mol |
| SMILES |
CN1C(N(C(c2[n](CC)c(Cl)nc12)=O)C)=O |
| SPLASH |
splash10-002f-1590000000-d2b99cd648b51498f003 |
| 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. |
| 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_2399 |
