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Sulfinpyrazone
SpectraBase Compound ID BjeKob8Jz4Z
InChI InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKey MBGGBVCUIVRRBF-UHFFFAOYSA-N
Mol Weight 404.48 g/mol
Molecular Formula C23H20N2O3S
Exact Mass 404.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AO5nNog5fey
Name Sulfinpyrazone
CAS Registry Number 57-96-5
Classification Uricosuric Thromb.aggr.inhib.
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 404.119463683 u
Formula C23H20N2O3S
InChI InChI=1S/C23H20N2O3S/c26-22-21(16-17-29(28)20-14-8-3-9-15-20)23(27)25(19-12-6-2-7-13-19)24(22)18-10-4-1-5-11-18/h1-15,21H,16-17H2
InChIKey MBGGBVCUIVRRBF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 404.484 g/mol
SMILES C(S(=O)c1ccccc1)CC1C(N(c2ccccc2)N(C1=O)c1ccccc1)=O
SPLASH splash10-004i-9420000000-1aa68c9334e05796ce0f
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_975