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9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide

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

9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide
SpectraBase Compound ID 5rOWA1Wz8Ay
InChI InChI=1S/C14H7NO3S/c15-8-9-5-6-11-13(7-9)19(17,18)12-4-2-1-3-10(12)14(11)16/h1-7H
InChIKey KFTPXAFBDZWJNK-UHFFFAOYSA-N
Mol Weight 269.27 g/mol
Molecular Formula C14H7NO3S
Exact Mass 269.014664 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GEIS8PVNal1
Name 9-Oxo-9H-thioxanthene-3-carbonitrile 10,10-dioxide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 346349
CAS Registry Number 51762-94-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H7NO3S
InChI InChI=1S/C14H7NO3S/c15-8-9-5-6-11-13(7-9)19(17,18)12-4-2-1-3-10(12)14(11)16/h1-7H
InChIKey KFTPXAFBDZWJNK-UHFFFAOYSA-N
Observed nucleus 1H
Purity 99%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_007154