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methyl 2-[({2-[2-(1,3-benzodioxol-5-yloxy)propanoyl]hydrazino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 4VaSgSwKgAE
InChI InChI=1S/C21H23N3O6S2/c1-11(30-12-7-8-14-15(9-12)29-10-28-14)18(25)23-24-21(31)22-19-17(20(26)27-2)13-5-3-4-6-16(13)32-19/h7-9,11H,3-6,10H2,1-2H3,(H,23,25)(H2,22,24,31)
InChIKey GBAFVXBQORQHHZ-UHFFFAOYSA-N
Mol Weight 477.55 g/mol
Molecular Formula C21H23N3O6S2
Exact Mass 477.102828 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FIqsfgsgl4S
Name methyl 2-[({2-[2-(1,3-benzodioxol-5-yloxy)propanoyl]hydrazino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C21H23N3O6S2/c1-11(30-12-7-8-14-15(9-12)29-10-28-14)18(25)23-24-21(31)22-19-17(20(26)27-2)13-5-3-4-6-16(13)32-19/h7-9,11H,3-6,10H2,1-2H3,(H,23,25)(H2,22,24,31)
InChIKey GBAFVXBQORQHHZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7720
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/1269185; Labnumber: COL5937; UZI_ID: UZI-007722
Temperature 318 °C