3-[(acetyloxy)methyl]-7-({[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

SpectraBase Compound ID	L3K71ayz0MP
InChI	InChI=1S/C16H14ClF3N4O6S/c1-5(25)30-3-6-4-31-14-8(13(27)24(14)9(6)15(28)29)21-12(26)10-7(17)11(16(18,19)20)22-23(10)2/h8,14H,3-4H2,1-2H3,(H,21,26)(H,28,29)
InChIKey	KOCYJYPTGFNBKN-UHFFFAOYSA-N Google Search
Mol Weight	482.82 g/mol
Molecular Formula	C16H14ClF3N4O6S
Exact Mass	482.027468 g/mol

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SpectraBase Spectrum ID	PEhQO6CnZm
Name	3-[(acetyloxy)methyl]-7-({[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C16H14ClF3N4O6S/c1-5(25)30-3-6-4-31-14-8(13(27)24(14)9(6)15(28)29)21-12(26)10-7(17)11(16(18,19)20)22-23(10)2/h8,14H,3-4H2,1-2H3,(H,21,26)(H,28,29)
InChIKey	KOCYJYPTGFNBKN-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_21085
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: UZI/1263732; Labnumber: ZIL0106; UZI_ID: UZI-021093
Temperature	308 °C