| SpectraBase Spectrum ID |
5XzPvnbkXzs |
| Name |
Reproterol-A |
| CAS Registry Number |
61444-26-6 |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
220.096025640 u |
| Formula |
C10H12N4O2 |
| InChI |
InChI=1S/C10H12N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h4,6H,1,5H2,2-3H3 |
| InChIKey |
ZGIBYCLLIMGXEZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
220.232 g/mol |
| Nominal Mass |
220 u |
| Quality |
989 |
| Retention Index |
1965 |
| SMILES |
C12=C(N(C(N(C2=O)C)=O)C)N=CN1CC=C |
| SPLASH |
splash10-00rf-9420000000-a95b1187f0ff9aab0f1f |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
7-Allyltheophylline
7-Allyl-1,3-dimethyl-purine-2,6-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_010254 |
