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2-[(4-methyl-3,5-dinitrobenzoyl)amino]-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID AdZd8OYzj3e
InChI InChI=1S/C22H26N4O6S/c1-5-22(3,4)13-6-7-14-17(10-13)33-21(18(14)19(23)27)24-20(28)12-8-15(25(29)30)11(2)16(9-12)26(31)32/h8-9,13H,5-7,10H2,1-4H3,(H2,23,27)(H,24,28)
InChIKey PTRZIEGDHCXEQB-UHFFFAOYSA-N
Mol Weight 474.53 g/mol
Molecular Formula C22H26N4O6S
Exact Mass 474.157306 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5VIzOGtMoPF
Name 2-[(4-methyl-3,5-dinitrobenzoyl)amino]-6-tert-pentyl-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/C22H26N4O6S/c1-5-22(3,4)13-6-7-14-17(10-13)33-21(18(14)19(23)27)24-20(28)12-8-15(25(29)30)11(2)16(9-12)26(31)32/h8-9,13H,5-7,10H2,1-4H3,(H2,23,27)(H,24,28)
InChIKey PTRZIEGDHCXEQB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18858
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/9130442; UBI_ID: UBI-018861
Temperature 318 °C