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Dipyron hydrate

View entire compound with spectra: 1 FTIR, 1 Raman, and 2 MS (GC)

Dipyron hydrate
SpectraBase Compound ID F4uVS2cFwup
InChI InChI=1S/C13H17N3O4S.Na.H2O/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;/h4-8H,9H2,1-3H3,(H,18,19,20);;1H2/q;+1;/p-1
InChIKey UNZIDPIPYUMVPA-UHFFFAOYSA-M
Mol Weight 351.35276928 g/mol
Molecular Formula C13H18N3NaO5S
Exact Mass 351.086486 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 72avNZMR6OL
Name Dipyron hydrate
Source of Sample Riedel-De Haen Vetranal, Sigma-Aldrich Inc.
Catalog Number 46232
Lot Number 7200X
Accessory DurasamplIR II
CAS Registry Number 5907-38-0
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18N3NaO5S
InChI InChI=1S/C13H17N3O4S.Na.H2O/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;/h4-8H,9H2,1-3H3,(H,18,19,20);;1H2/q;+1;/p-1
InChIKey UNZIDPIPYUMVPA-UHFFFAOYSA-M
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms Dipyrone; Methanesulfonic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)-, sodium salt, monohydrate
Technique ATR-Neat (DuraSamplIR II)