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Benzo[B]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[3-(4-morpholinyl)-1-oxopropyl]amino]-, methyl ester

View entire compound with spectra: 2 NMR

Benzo[B]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[3-(4-morpholinyl)-1-oxopropyl]amino]-, methyl ester
SpectraBase Compound ID 4smikgOo0JR
InChI InChI=1S/C17H24N2O4S/c1-22-17(21)15-12-4-2-3-5-13(12)24-16(15)18-14(20)6-7-19-8-10-23-11-9-19/h2-11H2,1H3,(H,18,20)
InChIKey LEPFOTNRUNHCDO-UHFFFAOYSA-N
Mol Weight 352.45 g/mol
Molecular Formula C17H24N2O4S
Exact Mass 352.145678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Ufpw56UpsS
Name Benzo[B]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[3-(4-morpholinyl)-1-oxopropyl]amino]-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.145678431 u
Formula C17H24N2O4S
InChI InChI=1S/C17H24N2O4S/c1-22-17(21)15-12-4-2-3-5-13(12)24-16(15)18-14(20)6-7-19-8-10-23-11-9-19/h2-11H2,1H3,(H,18,20)
InChIKey LEPFOTNRUNHCDO-UHFFFAOYSA-N
Molecular Weight 352.449 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OC)C(CCN1CCOCC1)=O