| SpectraBase Spectrum ID |
JF9S5LosMRE |
| Name |
Trimethoprim AC I |
| Classification |
Pharmaceutical drug, antibacterial |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
332.148455136 u |
| Formula |
C16H20N4O4 |
| InChI |
InChI=1S/C16H20N4O4/c1-9(21)19-16-18-8-11(15(17)20-16)5-10-6-12(22-2)14(24-4)13(7-10)23-3/h6-8H,5H2,1-4H3,(H3,17,18,19,20,21) |
| InChIKey |
JUOQWYOFCVNUNO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
332.360 g/mol |
| Nominal Mass |
332 u |
| Quality |
919 |
| Retention Index |
2734 |
| SMILES |
NC=1C(CC=2C=C(C(=C(C2)OC)OC)OC)=CN=C(NC(=O)C)N1 |
| SPLASH |
splash10-001i-1596000000-30659461602eee7b1059 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(4-amino-5-(3,4,5-trimethoxybenzyl)pyrimidin-2-yl)acetamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004134 |
