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N-(2-fluorophenyl)morpholine-4-carbothioamide

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

N-(2-fluorophenyl)morpholine-4-carbothioamide
SpectraBase Compound ID 5uyRT2L0d7c
InChI InChI=1S/C11H13FN2OS/c12-9-3-1-2-4-10(9)13-11(16)14-5-7-15-8-6-14/h1-4H,5-8H2,(H,13,16)
InChIKey PVNHYPWCCYSCOW-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C11H13FN2OS
Exact Mass 240.073262 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4HhEZhj0g0s
Name N-(2-Fluorophenyl)morpholine-4-carbothioamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.073262383 u
Formula C11H13FN2OS
InChI InChI=1S/C11H13FN2OS/c12-9-3-1-2-4-10(9)13-11(16)14-5-7-15-8-6-14/h1-4H,5-8H2,(H,13,16)
InChIKey PVNHYPWCCYSCOW-UHFFFAOYSA-N
Molecular Weight 240.296 g/mol
SMILES C=1C=CC(=C(C1)F)NC(=S)N1CCOCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.844532