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5-Toet-A (-hn) hfb

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

5-Toet-A (-hn) hfb
SpectraBase Compound ID 55kus2MSnw1
InChI InChI=1S/C17H19F7O3S/c1-5-10-7-12(26-3)11(8-13(10)28-4)6-9(2)27-14(25)15(18,19)16(20,21)17(22,23)24/h7-9H,5-6H2,1-4H3
InChIKey KYDNVSLYKSKILE-UHFFFAOYSA-N
Mol Weight 436.38 g/mol
Molecular Formula C17H19F7O3S
Exact Mass 436.094313 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LGMT3XdGX3o
Name 5-Toet-A (-hn) hfb
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.094312784 u
Formula C17H19F7O3S
InChI InChI=1S/C17H19F7O3S/c1-5-10-7-12(26-3)11(8-13(10)28-4)6-9(2)27-14(25)15(18,19)16(20,21)17(22,23)24/h7-9H,5-6H2,1-4H3
InChIKey KYDNVSLYKSKILE-UHFFFAOYSA-N
Molecular Weight 436.385 g/mol
SMILES C(C(C(F)(F)F)(F)F)(C(OC(CC=1C(=CC(=C(C1)SC)CC)OC)C)=O)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.837266