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3-(Phenylsulfanyl)propylamine, N-trifluoroacetyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

3-(Phenylsulfanyl)propylamine, N-trifluoroacetyl-
SpectraBase Compound ID BdzrGTeOAfF
InChI InChI=1S/C11H12F3NOS/c12-11(13,14)10(16)15-7-4-8-17-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16)
InChIKey AGHJHSRAWDGXSJ-UHFFFAOYSA-N
Mol Weight 263.28 g/mol
Molecular Formula C11H12F3NOS
Exact Mass 263.05917 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GxIHTKZLGWa
Name 3-(Phenylsulfanyl)propylamine, N-trifluoroacetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 263.059169672 u
Formula C11H12F3NOS
InChI InChI=1S/C11H12F3NOS/c12-11(13,14)10(16)15-7-4-8-17-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,15,16)
InChIKey AGHJHSRAWDGXSJ-UHFFFAOYSA-N
Molecular Weight 263.278 g/mol
SMILES C(SC1=CC=CC=C1)CCNC(C(F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931207