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2-Naphthalenethiol, S-pentafluoropropionyl-

View entire compound with spectra: 1 FTIR

2-Naphthalenethiol, S-pentafluoropropionyl-
SpectraBase Compound ID Jr3LGj3VWAx
InChI InChI=1S/C13H7F5OS/c14-12(15,13(16,17)18)11(19)20-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey TXINTVXXRQPQAH-UHFFFAOYSA-N
Mol Weight 306.25 g/mol
Molecular Formula C13H7F5OS
Exact Mass 306.013777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G62uoiG27m7
Name 2-Naphthalenethiol, S-pentafluoropropionyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.013776833 u
Formula C13H7F5OS
InChI InChI=1S/C13H7F5OS/c14-12(15,13(16,17)18)11(19)20-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKey TXINTVXXRQPQAH-UHFFFAOYSA-N
Molecular Weight 306.250 g/mol
SMILES C1(SC(C(C(F)(F)F)(F)F)=O)=CC2=C(C=C1)C=CC=C2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.814359