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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 8I1u1pOvUnI
Name Tinidazole
CAS Registry Number 19387-91-8
Classification Pharmaceutical drug, antiprotozoal
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 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
Nominal Mass 247 u
Quality 968
Retention Index 2024
SMILES C=1(N(C(=NC1)C)CCS(CC)(=O)=O)[N+](=O)[O-]
SPLASH splash10-0udi-9550000000-f0095f3c48d3d6e8616b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fasigyn Simplotan Symplotan Tinidazol Trimonase 1-[2-(Ethylsulfonyl)ethyl]-2-methyl-5-nitro-1H-imidazole
Technique GC/MS
Wiley ID DD2024_004050