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2-(2-Morpholin-4-ylacetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, ethyl ester

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

2-(2-Morpholin-4-ylacetylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid, ethyl ester
SpectraBase Compound ID 5bOGc4PQb5n
InChI InChI=1S/C17H24N2O4S/c1-2-23-17(21)15-12-5-3-4-6-13(12)24-16(15)18-14(20)11-19-7-9-22-10-8-19/h2-11H2,1H3,(H,18,20)
InChIKey MHZCSURQWKGTCL-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 AwGKWS8BtuH
Name 2-(2-Morpholin-4-ylacetylamino)-4,5,6,7-tetrahydrobenzo[B]thiophene-3-carboxylic acid, ethyl 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/c1-2-23-17(21)15-12-5-3-4-6-13(12)24-16(15)18-14(20)11-19-7-9-22-10-8-19/h2-11H2,1H3,(H,18,20)
InChIKey MHZCSURQWKGTCL-UHFFFAOYSA-N
Molecular Weight 352.449 g/mol
SMILES C1COCCN1CC(=O)NC=1SC2=C(C1C(OCC)=O)CCCC2