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benzoic acid, 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfonyl]-
SpectraBase Compound ID 30ATheZxMam
InChI InChI=1S/C14H7F3N2O8S/c15-14(16,17)7-5-9(18(22)23)12(10(6-7)19(24)25)28(26,27)11-4-2-1-3-8(11)13(20)21/h1-6H,(H,20,21)
InChIKey CSGDECHOCKTLGY-UHFFFAOYSA-N
Mol Weight 420.27 g/mol
Molecular Formula C14H7F3N2O8S
Exact Mass 419.987521 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HpjtxnOISTT
Name benzoic acid, 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfonyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.987520848 u
Formula C14H7F3N2O8S
InChI InChI=1S/C14H7F3N2O8S/c15-14(16,17)7-5-9(18(22)23)12(10(6-7)19(24)25)28(26,27)11-4-2-1-3-8(11)13(20)21/h1-6H,(H,20,21)
InChIKey CSGDECHOCKTLGY-UHFFFAOYSA-N
Molecular Weight 420.271 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13216
Solvent DMSO-d6
Source Vendor ID: NMR/10301333; Lab Info: LP; Lab Number: LP-2101417