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S-(4-fluorophenyl)sulfanyl 4-nitrobenzenecarbothioate
SpectraBase Compound ID 3hV6I8YSyrS
InChI InChI=1S/C13H8FNO3S2/c14-10-3-7-12(8-4-10)19-20-13(16)9-1-5-11(6-2-9)15(17)18/h1-8H
InChIKey CRVZKGGRQUYTBG-UHFFFAOYSA-N
Mol Weight 309.33 g/mol
Molecular Formula C13H8FNO3S2
Exact Mass 308.992964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eXrdKt9GPI
Name S-(4-fluorophenyl)sulfanyl 4-nitrobenzenecarbothioate
Alternate Name(s) 4-Nitrobenzenecarbothioic acid S-[(4-fluorophenyl)thio] ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8FNO3S2
InChI InChI=1S/C13H8FNO3S2/c14-10-3-7-12(8-4-10)19-20-13(16)9-1-5-11(6-2-9)15(17)18/h1-8H
InChIKey CRVZKGGRQUYTBG-UHFFFAOYSA-N
Molecular Weight 309.329 g/mol
SMILES c1(N(=O)=O)ccc(C(SSc2ccc(cc2)F)=O)cc1
SPLASH splash10-0udi-2900000000-7b19c0bffc0d610f1d31
Source of Spectrum SO-0-1040-6
Wiley ID 864416