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1-[bis(fluoranyl)-phenylsulfanyl-methyl]-4-nitro-benzene
SpectraBase Compound ID 8L1KGcYGNNA
InChI InChI=1S/C13H9F2NO2S/c14-13(15,19-12-4-2-1-3-5-12)10-6-8-11(9-7-10)16(17)18/h1-9H
InChIKey ZTTPVGUMLWHLNW-UHFFFAOYSA-N
Mol Weight 281.28 g/mol
Molecular Formula C13H9F2NO2S
Exact Mass 281.032206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Je6a52W5OLP
Name 1-[bis(fluoranyl)-phenylsulfanyl-methyl]-4-nitro-benzene
CAS Registry Number 114467-77-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9F2NO2S
InChI InChI=1S/C13H9F2NO2S/c14-13(15,19-12-4-2-1-3-5-12)10-6-8-11(9-7-10)16(17)18/h1-9H
InChIKey ZTTPVGUMLWHLNW-UHFFFAOYSA-N
Molecular Weight 281.277 g/mol
SMILES c1(N(=O)=O)ccc(C(Sc2ccccc2)(F)F)cc1
SPLASH splash10-03mi-0900000000-4a0b37dbc5145cb09741
Source of Spectrum K-121-1337-6
Synonyms 1-[difluoro(phenylsulfanyl)methyl]-4-nitro-benzene 1-[difluoro-(phenylthio)methyl]-4-nitro-benzene 1-[difluoro-(phenylthio)methyl]-4-nitrobenzene
Wiley ID 1284694