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Trimethoprim 2AC
SpectraBase Compound ID E0vYaequsE7
InChI InChI=1S/C18H22N4O5/c1-10(23)20-17-13(9-19-18(22-17)21-11(2)24)6-12-7-14(25-3)16(27-5)15(8-12)26-4/h7-9H,6H2,1-5H3,(H2,19,20,21,22,23,24)
InChIKey UXRXKBGRKRYPCP-UHFFFAOYSA-N
Mol Weight 374.4 g/mol
Molecular Formula C18H22N4O5
Exact Mass 374.15902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WmsTo1ydg8
Name Trimethoprim 2AC
Classification Pharmaceutical drug derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 374.159019819 u
Formula C18H22N4O5
InChI InChI=1S/C18H22N4O5/c1-10(23)20-17-13(9-19-18(22-17)21-11(2)24)6-12-7-14(25-3)16(27-5)15(8-12)26-4/h7-9H,6H2,1-5H3,(H2,19,20,21,22,23,24)
InChIKey UXRXKBGRKRYPCP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 374.397 g/mol
Nominal Mass 374 u
Quality 926
Retention Index 3069
SMILES C=1(C(CC2=CC(=C(C(=C2)OC)OC)OC)=CN=C(N1)NC(=O)C)NC(=O)C
SPLASH splash10-06fr-1469000000-55cfc238ae2f81a33f07
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(2-(acetylamino)-5-(3,4,5-trimethoxybenzyl)pyrimidin-4-yl)acetamide
Technique GC/MS
Wiley ID DD2024_004132