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2-(2,4-Difluorophenyl)-2-[difluoro(phenylsulfanyl)methyl]oxirane
SpectraBase Compound ID 8zM6194F5b5
InChI InChI=1S/C15H10F4OS/c16-10-6-7-12(13(17)8-10)14(9-20-14)15(18,19)21-11-4-2-1-3-5-11/h1-8H,9H2
InChIKey ZXJBAVURAXKXRZ-UHFFFAOYSA-N
Mol Weight 314.3 g/mol
Molecular Formula C15H10F4OS
Exact Mass 314.038849 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HSIKzbCMo2O
Name 2-(2,4-Difluorophenyl)-2-[difluoro(phenylsulfanyl)methyl]oxirane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.038848767 u
Formula C15H10F4OS
InChI InChI=1S/C15H10F4OS/c16-10-6-7-12(13(17)8-10)14(9-20-14)15(18,19)21-11-4-2-1-3-5-11/h1-8H,9H2
InChIKey ZXJBAVURAXKXRZ-UHFFFAOYSA-N
Molecular Weight 314.298 g/mol
SMILES C1(OC1)(C(SC=1C=CC=CC1)(F)F)C=1C(=CC(=CC1)F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837167