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N-benzyl-2-{[(E)-(6-methyl-1,3-benzodioxol-5-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID IIRFeGqImcW
InChI InChI=1S/C25H24N2O3S/c1-16-11-20-21(30-15-29-20)12-18(16)14-27-25-23(19-9-5-6-10-22(19)31-25)24(28)26-13-17-7-3-2-4-8-17/h2-4,7-8,11-12,14H,5-6,9-10,13,15H2,1H3,(H,26,28)/b27-14+
InChIKey FFCURMFIGBFHIR-MZJWZYIUSA-N
Mol Weight 432.54 g/mol
Molecular Formula C25H24N2O3S
Exact Mass 432.150764 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 11SJV3654c8
Name N-benzyl-2-{[(E)-(6-methyl-1,3-benzodioxol-5-yl)methylidene]amino}-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/C25H24N2O3S/c1-16-11-20-21(30-15-29-20)12-18(16)14-27-25-23(19-9-5-6-10-22(19)31-25)24(28)26-13-17-7-3-2-4-8-17/h2-4,7-8,11-12,14H,5-6,9-10,13,15H2,1H3,(H,26,28)/b27-14+
InChIKey FFCURMFIGBFHIR-MZJWZYIUSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8315
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: 9685969; UBI_ID: UBI-008318
Synonyms N-benzyl-2-{[(6-methyl-1,3-benzodioxol-5-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Temperature 308 °C