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Tetroxoprim
SpectraBase Compound ID 3fkIV9OJ6R2
InChI InChI=1S/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)
InChIKey WSWJIZXMAUYHOE-UHFFFAOYSA-N
Mol Weight 334.38 g/mol
Molecular Formula C16H22N4O4
Exact Mass 334.164105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DozDQPj9Egq
Name Tetroxoprim
CAS Registry Number 53808-87-0
Classification Pharmaceutical drug, chemotherapeutic
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 334.164105200 u
Formula C16H22N4O4
InChI InChI=1S/C16H22N4O4/c1-21-4-5-24-14-12(22-2)7-10(8-13(14)23-3)6-11-9-19-16(18)20-15(11)17/h7-9H,4-6H2,1-3H3,(H4,17,18,19,20)
InChIKey WSWJIZXMAUYHOE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 334.376 g/mol
Nominal Mass 334 u
Quality 928
Retention Index 2708
SMILES NC1=NC=C(C(=N1)N)CC1=CC(=C(C(=C1)OC)OCCOC)OC
SPLASH splash10-003r-2493000000-9c7e23813dcba98b600a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2,4-Diamino-5-[3,5-dimethoxy-4-(2-methoxyethoxy)benzyl]pyrimidin
Technique GC/MS
Wiley ID DD2024_006237