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(phenylmethyl) N-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)carbamate

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

(phenylmethyl) N-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)carbamate
SpectraBase Compound ID BlHwVrk4fHd
InChI InChI=1S/C18H19FN2O2S/c19-16-12-15(6-7-17(16)21-8-10-24-11-9-21)20-18(22)23-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)
InChIKey IFTVWPQLBCYBPN-UHFFFAOYSA-N
Mol Weight 346.42 g/mol
Molecular Formula C18H19FN2O2S
Exact Mass 346.115127 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1NM9Blj5Ger
Name (Phenylmethyl) N-(3-fluoranyl-4-thiomorpholin-4-yl-phenyl)carbamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.115127195 u
Formula C18H19FN2O2S
InChI InChI=1S/C18H19FN2O2S/c19-16-12-15(6-7-17(16)21-8-10-24-11-9-21)20-18(22)23-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,22)
InChIKey IFTVWPQLBCYBPN-UHFFFAOYSA-N
Molecular Weight 346.420 g/mol
SMILES C1N(CCSC1)C=1C(=CC(=CC1)NC(=O)OCC=1C=CC=CC1)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.871149