sodium S-{2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-oxoethyl} thiosulfate

SpectraBase Compound ID	IruCKN1JD5H
InChI	InChI=1S/C13H15N3O5S2.Na/c1-9-12(14-11(17)8-22-23(19,20)21)13(18)16(15(9)2)10-6-4-3-5-7-10;/h3-7H,8H2,1-2H3,(H,14,17)(H,19,20,21);/q;+1/p-1
InChIKey	JNOQYWYCLNBLJV-UHFFFAOYSA-M Google Search
Mol Weight	379.38 g/mol
Molecular Formula	C13H14N3NaO5S2
Exact Mass	379.027257 g/mol

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SpectraBase Spectrum ID	Cx5VpcdajaB
Name	sodium {[3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-oxopropyl]sulfanyl}sulfonate
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	379.027257186 u
Formula	C13H14N3NaO5S2
InChI	InChI=1S/C13H15N3O5S2.Na/c1-9-12(14-11(17)8-22-23(19,20)21)13(18)16(15(9)2)10-6-4-3-5-7-10;/h3-7H,8H2,1-2H3,(H,14,17)(H,19,20,21);/q;+1/p-1
InChIKey	JNOQYWYCLNBLJV-UHFFFAOYSA-M
Molecular Weight	379.381 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_1599
Solvent	DMSO-d6
Source	Vendor ID: ZI/8167683; Lab Info: L-19,Kulikov; Lab Number: L-19/0010039