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N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-thiomorpholinyl)acetamide

View entire compound with spectra: 2 NMR

N-(1,3-benzodioxol-5-yl)-2-(3-oxo-2-thiomorpholinyl)acetamide
SpectraBase Compound ID 9I7n5DOvUr2
InChI InChI=1S/C13H14N2O4S/c16-12(6-11-13(17)14-3-4-20-11)15-8-1-2-9-10(5-8)19-7-18-9/h1-2,5,11H,3-4,6-7H2,(H,14,17)(H,15,16)
InChIKey MHOBEBLBYGELTK-UHFFFAOYSA-N
Mol Weight 294.32 g/mol
Molecular Formula C13H14N2O4S
Exact Mass 294.067428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LI1wRAnk7cP
Name N-(1,3-Benzodioxol-5-yl)-2-(3-oxo-2-thiomorpholinyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.067428109 u
Formula C13H14N2O4S
InChI InChI=1S/C13H14N2O4S/c16-12(6-11-13(17)14-3-4-20-11)15-8-1-2-9-10(5-8)19-7-18-9/h1-2,5,11H,3-4,6-7H2,(H,14,17)(H,15,16)
InChIKey MHOBEBLBYGELTK-UHFFFAOYSA-N
Molecular Weight 294.325 g/mol
SMILES N(C(CC1C(NCCS1)=O)=O)C=1C=C2OCOC2=CC1