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3-{2-[5-(alpha,alpha,alpha-trifluoro-m-tolyl)-2H-tetrazol-2-yl]acetamido}-2-thiophenecarboxylic acid, methyl ester

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3-{2-[5-(alpha,alpha,alpha-trifluoro-m-tolyl)-2H-tetrazol-2-yl]acetamido}-2-thiophenecarboxylic acid, methyl ester
SpectraBase Compound ID KFih3QuuSzM
InChI InChI=1S/C16H12F3N5O3S/c1-27-15(26)13-11(5-6-28-13)20-12(25)8-24-22-14(21-23-24)9-3-2-4-10(7-9)16(17,18)19/h2-7H,8H2,1H3,(H,20,25)
InChIKey HFCYVHHCHVSHBH-UHFFFAOYSA-N
Mol Weight 411.36 g/mol
Molecular Formula C16H12F3N5O3S
Exact Mass 411.061295 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ERaLh6aHZXw
Name 3-{2-[5-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)-2H-TETRAZOL-2-YL]ACETAMIDO}-2-THIOPHENECARBOXYLIC ACID, METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12F3N5O3S
InChI InChI=1S/C16H12F3N5O3S/c1-27-15(26)13-11(5-6-28-13)20-12(25)8-24-22-14(21-23-24)9-3-2-4-10(7-9)16(17,18)19/h2-7H,8H2,1H3,(H,20,25)
InChIKey HFCYVHHCHVSHBH-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 411.37
Solvent CDCl3; Reference=TMS; Temperature 297K