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methyl 2-(2-(azepan-1-yl)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate oxalate
SpectraBase Compound ID Bx4ealF1Q3B
InChI InChI=1S/C19H28N2O3S.C2H2O4/c1-13-7-8-14-15(11-13)25-18(17(14)19(23)24-2)20-16(22)12-21-9-5-3-4-6-10-21;3-1(4)2(5)6/h13H,3-12H2,1-2H3,(H,20,22);(H,3,4)(H,5,6)
InChIKey NKNJCVODUWKWIF-UHFFFAOYSA-N
Mol Weight 454.54 g/mol
Molecular Formula C21H30N2O7S
Exact Mass 454.177372 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6nvYwlVsm57
Name methyl 2-(2-(azepan-1-yl)acetamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate oxalate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C19H28N2O3S.C2H2O4/c1-13-7-8-14-15(11-13)25-18(17(14)19(23)24-2)20-16(22)12-21-9-5-3-4-6-10-21;3-1(4)2(5)6/h13H,3-12H2,1-2H3,(H,20,22);(H,3,4)(H,5,6)
InChIKey NKNJCVODUWKWIF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_738
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/11228417