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4-Nitro-6-(trifluoromethylsulfanyl)-1,3-benzodithiol-2-one
SpectraBase Compound ID LcNxRLLvWue
InChI InChI=1S/C8H2F3NO3S3/c9-8(10,11)18-3-1-4(12(14)15)6-5(2-3)16-7(13)17-6/h1-2H
InChIKey SKNFNJHAIUGTDR-UHFFFAOYSA-N
Mol Weight 313.28 g/mol
Molecular Formula C8H2F3NO3S3
Exact Mass 312.914891 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5jugx9KBVmH
Name 1,3-benzodithiol-2-one, 4-nitro-6-[(trifluoromethyl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.914890936 u
Formula C8H2F3NO3S3
InChI InChI=1S/C8H2F3NO3S3/c9-8(10,11)18-3-1-4(12(14)15)6-5(2-3)16-7(13)17-6/h1-2H
InChIKey SKNFNJHAIUGTDR-UHFFFAOYSA-N
Molecular Weight 313.283 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15877
Solvent DMSO-d6
Source Vendor ID: NMR/10301524; Lab Info: SIP; Lab Number: SIP-0085