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6-tert-butyl-N'-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
SpectraBase Compound ID LMIQIQ45c6O
InChI InChI=1S/C21H23N3O5S/c1-21(2,3)13-4-5-14-15(10-30-19(14)7-13)20(25)23-22-9-12-6-17-18(29-11-28-17)8-16(12)24(26)27/h6,8-10,13H,4-5,7,11H2,1-3H3,(H,23,25)/b22-9-
InChIKey SPNBVKDHTDWFQP-AFPJDJCSSA-N
Mol Weight 429.49 g/mol
Molecular Formula C21H23N3O5S
Exact Mass 429.135842 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8cYvwywj3Q1
Name 6-tert-butyl-N'-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
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/C21H23N3O5S/c1-21(2,3)13-4-5-14-15(10-30-19(14)7-13)20(25)23-22-9-12-6-17-18(29-11-28-17)8-16(12)24(26)27/h6,8-10,13H,4-5,7,11H2,1-3H3,(H,23,25)/b22-9-
InChIKey SPNBVKDHTDWFQP-AFPJDJCSSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14900
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/1021123; UBI_ID: UBI-014903
Synonyms 6-tert-butyl-N'-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
Temperature 318 °C