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(2-Benzylsulfanyl-phenyl)-morpholin-4-yl-methanone

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

(2-Benzylsulfanyl-phenyl)-morpholin-4-yl-methanone
SpectraBase Compound ID 98HIvI4poLx
InChI InChI=1S/C18H19NO2S/c20-18(19-10-12-21-13-11-19)16-8-4-5-9-17(16)22-14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKey QTLCXGYKTPZNJP-UHFFFAOYSA-N
Mol Weight 313.42 g/mol
Molecular Formula C18H19NO2S
Exact Mass 313.11365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7N116MGJ0SL
Name (2-Benzylsulfanyl-phenyl)-morpholin-4-yl-methanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.113650028 u
Formula C18H19NO2S
InChI InChI=1S/C18H19NO2S/c20-18(19-10-12-21-13-11-19)16-8-4-5-9-17(16)22-14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKey QTLCXGYKTPZNJP-UHFFFAOYSA-N
Molecular Weight 313.415 g/mol
SMILES C(C1=C(SCC2=CC=CC=C2)C=CC=C1)(N1CCOCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933103