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Trimethoprim 3TMS
SpectraBase Compound ID E4P9ge8n6au
InChI InChI=1S/C23H42N4O3Si3/c1-28-19-14-17(15-20(29-2)21(19)30-3)13-18-16-24-23(25-22(18)26-31(4,5)6)27(32(7,8)9)33(10,11)12/h14-16H,13H2,1-12H3,(H,24,25,26)
InChIKey AMDHNWRZAXALSW-UHFFFAOYSA-N
Mol Weight 506.9 g/mol
Molecular Formula C23H42N4O3Si3
Exact Mass 506.256471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DepPt65FGcM
Name Trimethoprim 3TMS
Classification Antibiotic
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Exact Mass 506.256470830 u
Formula C23H42N4O3Si3
InChI InChI=1S/C23H42N4O3Si3/c1-28-19-14-17(15-20(29-2)21(19)30-3)13-18-16-24-23(25-22(18)26-31(4,5)6)27(32(7,8)9)33(10,11)12/h14-16H,13H2,1-12H3,(H,24,25,26)
InChIKey AMDHNWRZAXALSW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 506.869 g/mol
SMILES c1(nc(c(Cc2cc(c(OC)c(c2)OC)OC)cn1)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
SPLASH splash10-006x-6532920000-ceadab97af7a7771621c
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_4603