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3-Methoxy-N-(morpholin-4-yl-carbothioyl)benzamide

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

3-Methoxy-N-(morpholin-4-yl-carbothioyl)benzamide
SpectraBase Compound ID Cmcnm9wJ2jR
InChI InChI=1S/C13H16N2O3S/c1-17-11-4-2-3-10(9-11)12(16)14-13(19)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,16,19)
InChIKey LOEGCMJIWVABPA-UHFFFAOYSA-N
Mol Weight 280.34 g/mol
Molecular Formula C13H16N2O3S
Exact Mass 280.088164 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GV5huOmF4Xc
Name 3-Methoxy-N-(morpholin-4-yl-carbothioyl)benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.088163554 u
Formula C13H16N2O3S
InChI InChI=1S/C13H16N2O3S/c1-17-11-4-2-3-10(9-11)12(16)14-13(19)15-5-7-18-8-6-15/h2-4,9H,5-8H2,1H3,(H,14,16,19)
InChIKey LOEGCMJIWVABPA-UHFFFAOYSA-N
Molecular Weight 280.342 g/mol
SMILES COC1=CC=CC(=C1)C(NC(N1CCOCC1)=S)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858865