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{[N'-(PHENYLSULFONYL)-N-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)AMIDINO]THIO}ACETIC ACID
SpectraBase Compound ID J8ttmIBWMmo
InChI InChI=1S/C16H13F3N2O4S2/c17-16(18,19)11-5-4-6-12(9-11)20-15(26-10-14(22)23)21-27(24,25)13-7-2-1-3-8-13/h1-9H,10H2,(H,20,21)(H,22,23)
InChIKey RXVLHMBUEFLZMR-UHFFFAOYSA-N
Mol Weight 418.41 g/mol
Molecular Formula C16H13F3N2O4S2
Exact Mass 418.026884 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BenAA5OJXeY
Name {[N'-(PHENYLSULFONYL)-N-(alpha,alpha,alpha-TRIFLUORO-m-TOLYL)AMIDINO]THIO}ACETIC ACID
Source of Sample MAYBRIDGE CHEMICAL COMPANY LTD., NORTH CORNWALL, ENGLAND
Catalog Number NH 53
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13F3N2O4S2
InChI InChI=1S/C16H13F3N2O4S2/c17-16(18,19)11-5-4-6-12(9-11)20-15(26-10-14(22)23)21-27(24,25)13-7-2-1-3-8-13/h1-9H,10H2,(H,20,21)(H,22,23)
InChIKey RXVLHMBUEFLZMR-UHFFFAOYSA-N
Melting Point 161-163C
Molecular Weight 418.410004
Synonyms ACETIC ACID, //N*-/PHENYLSULFONYL/- N-/A,A,A-TRIFLUORO-M-TOLYL/AMIDINO/- THIO/-,
Technique KBr WAFER