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6-tert-butyl-N-(3,5-dioxo-4-azatricyclo[5.2.2.0~2,6~]undec-8-en-4-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID ETbgxshSNRE
InChI InChI=1S/C23H28N2O3S/c1-23(2,3)14-8-9-15-16(11-29-17(15)10-14)20(26)24-25-21(27)18-12-4-5-13(7-6-12)19(18)22(25)28/h4-5,11-14,18-19H,6-10H2,1-3H3,(H,24,26)/t12-,13+,14?,18-,19-/m1/s1
InChIKey ZHSWUZFFHSBULE-KGOPRSAJSA-N
Mol Weight 412.55 g/mol
Molecular Formula C23H28N2O3S
Exact Mass 412.182064 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4SavwMLh2it
Name 6-tert-butyl-N-(3,5-dioxo-4-azatricyclo[5.2.2.0~2,6~]undec-8-en-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/C23H28N2O3S/c1-23(2,3)14-8-9-15-16(11-29-17(15)10-14)20(26)24-25-21(27)18-12-4-5-13(7-6-12)19(18)22(25)28/h4-5,11-14,18-19H,6-10H2,1-3H3,(H,24,26)/t12-,13+,14?,18-,19-/m1/s1
InChIKey ZHSWUZFFHSBULE-KGOPRSAJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7394
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/1269325; Labnumber: COL4990; UZI_ID: UZI-007396
Temperature 318 °C