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2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride

View entire compound with spectra: 2 NMR, 3 FTIR, and 1 Raman

2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride
SpectraBase Compound ID H3IVM10MTmH
InChI InChI=1S/C7H3ClF3NO4S/c8-17(15,16)6-2-1-4(7(9,10)11)3-5(6)12(13)14/h1-3H
InChIKey KXEMVGQZZLRLBE-UHFFFAOYSA-N
Mol Weight 289.61 g/mol
Molecular Formula C7H3ClF3NO4S
Exact Mass 288.942341 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IbSOve0QVCq
Name 2-Nitro-4-(trifluoromethyl)benzenesulfonyl chloride
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 324779
CAS Registry Number 837-95-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3ClF3NO4S
InChI InChI=1S/C7H3ClF3NO4S/c8-17(15,16)6-2-1-4(7(9,10)11)3-5(6)12(13)14/h1-3H
InChIKey KXEMVGQZZLRLBE-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_006451