| SpectraBase Spectrum ID |
L7bhoRI4qb7 |
| Name |
Theobromine TMS @ |
| Classification |
Vasodilator |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
252.104252304 u |
| Formula |
C10H16N4O2Si |
| InChI |
InChI=1S/C10H16N4O2Si/c1-12-6-11-8-7(12)9(15)14(17(3,4)5)10(16)13(8)2/h6H,1-5H3 |
| InChIKey |
DKNMLAFYPQOUED-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
252.349 g/mol |
| SMILES |
c12N(C(N([Si](C)(C)C)C(c2[n](C)cn1)=O)=O)C |
| SPLASH |
splash10-000i-6590000000-9c5fa6056f07f967f35b |
| 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 (1-nor-) TMS |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5452 |
