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bis[4-Nitro-2-[trifluoromethyl]phenyl]sulfide

View entire compound with spectra: 1 FTIR

bis[4-Nitro-2-[trifluoromethyl]phenyl]sulfide
SpectraBase Compound ID RjMtUvkLjP
InChI InChI=1S/C14H6F6N2O4S/c15-13(16,17)9-5-7(21(23)24)1-3-11(9)27-12-4-2-8(22(25)26)6-10(12)14(18,19)20/h1-6H
InChIKey HBQQSLSOHHIOGP-UHFFFAOYSA-N
Mol Weight 412.26 g/mol
Molecular Formula C14H6F6N2O4S
Exact Mass 411.995247 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Du93wkfQBGy
Name bis[4-Nitro-2-[trifluoromethyl]phenyl]sulfide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.995246829 u
Formula C14H6F6N2O4S
InChI InChI=1S/C14H6F6N2O4S/c15-13(16,17)9-5-7(21(23)24)1-3-11(9)27-12-4-2-8(22(25)26)6-10(12)14(18,19)20/h1-6H
InChIKey HBQQSLSOHHIOGP-UHFFFAOYSA-N
Molecular Weight 412.262 g/mol
SMILES C(F)(F)(F)C1=C(C=CC(N(=O)=O)=C1)SC=1C(C(F)(F)F)=CC(N(=O)=O)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.82533