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6-tert-butyl-N-(3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID Ixxk4NGiwAf
InChI InChI=1S/C21H26N2O4S/c1-21(2,3)10-4-5-11-12(9-28-15(11)8-10)18(24)22-23-19(25)16-13-6-7-14(27-13)17(16)20(23)26/h9-10,13-14,16-17H,4-8H2,1-3H3,(H,22,24)/t10?,13-,14+,16-,17-/m1/s1
InChIKey PSXHFTHTVFDMEV-XHDOAIBNSA-N
Mol Weight 402.51 g/mol
Molecular Formula C21H26N2O4S
Exact Mass 402.161328 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LHtjZSu2j7K
Name 6-tert-butyl-N-(3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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/C21H26N2O4S/c1-21(2,3)10-4-5-11-12(9-28-15(11)8-10)18(24)22-23-19(25)16-13-6-7-14(27-13)17(16)20(23)26/h9-10,13-14,16-17H,4-8H2,1-3H3,(H,22,24)/t10?,13-,14+,16-,17-/m1/s1
InChIKey PSXHFTHTVFDMEV-XHDOAIBNSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14903
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: UZI/1021193; UBI_ID: UBI-014906
Temperature 318 °C