| SpectraBase Spectrum ID |
2T9RX6Uq5eL |
| Name |
Theophylline TMS @ |
| CAS Registry Number |
62374-32-7 |
| Classification |
Bronchodilator |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
252.104252304 u |
| Formula |
C10H16N4O2Si |
| InChI |
InChI=1S/C10H16N4O2Si/c1-12-8-7(9(15)13(2)10(12)16)14(6-11-8)17(3,4)5/h6H,1-5H3 |
| InChIKey |
KPBTTYFAGBODJB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
252.349 g/mol |
| SMILES |
c12c(N(C(=O)N(C2=O)C)C)nc[n]1[Si](C)(C)C |
| SPLASH |
splash10-0f79-5390000000-a725058f9af5725dd222 |
| 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 |
| Synonyms |
Caffeine-M (7-nor-) TMS |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4600 |
