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Tinidazole
SpectraBase Compound ID EnswaY6wfEv
InChI InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3
InChIKey HJLSLZFTEKNLFI-UHFFFAOYSA-N
Mol Weight 247.27 g/mol
Molecular Formula C8H13N3O4S
Exact Mass 247.062677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BAt2IhwSDV0
Name Tinidazole
CAS Registry Number 19387-91-8
Classification Antibiotic Trichomonacide
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 247.062677081 u
Formula C8H13N3O4S
InChI InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3
InChIKey HJLSLZFTEKNLFI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 247.269 g/mol
SMILES c1([n](CCS(=O)(=O)CC)c(C)nc1)N(=O)=O
SPLASH splash10-0udi-9430000000-2e704e783ce73fdf227a
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.
Sample Preparation Procedure Detected: U+UHYAC
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_2737