| SpectraBase Spectrum ID |
JHdQvo2zIZ6 |
| Name |
Trimethoprim |
| CAS Registry Number |
738-70-5 |
| Classification |
Pharmaceutical drug, antibacterial |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
290.137890453 u |
| Formula |
C14H18N4O3 |
| InChI |
InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) |
| InChIKey |
IEDVJHCEMCRBQM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
290.323 g/mol |
| Nominal Mass |
290 u |
| Quality |
968 |
| Retention Index |
2638 |
| SMILES |
NC1=NC=C(C(=N1)N)CC1=CC(=C(C(=C1)OC)OC)OC |
| SPLASH |
splash10-0006-1290000000-ce603933bf88092a7e79 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
5-[(3,4,5-Trimethoxyphenyl)methyl]pyrimidine-2,4-diamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014636 |
