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N-[4-({[(E)-(dimethylamino)methylidene]amino}sulfonyl)phenyl]-2-[(5-{[(E)-(dimethylamino)methylidene]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SpectraBase Compound ID 2aP6WTvOArz
InChI InChI=1S/C16H21N7O3S3/c1-22(2)10-17-15-20-21-16(28-15)27-9-14(24)19-12-5-7-13(8-6-12)29(25,26)18-11-23(3)4/h5-8,10-11H,9H2,1-4H3,(H,19,24)/b17-10+,18-11+
InChIKey SOPGYRUGIDYQLU-ODPUSEOTSA-N
Mol Weight 455.57 g/mol
Molecular Formula C16H21N7O3S3
Exact Mass 455.086801 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5yeVwIcfexa
Name N-[4-({[(E)-(dimethylamino)methylidene]amino}sulfonyl)phenyl]-2-[(5-{[(E)-(dimethylamino)methylidene]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
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/C16H21N7O3S3/c1-22(2)10-17-15-20-21-16(28-15)27-9-14(24)19-12-5-7-13(8-6-12)29(25,26)18-11-23(3)4/h5-8,10-11H,9H2,1-4H3,(H,19,24)/b17-10+,18-11+
InChIKey SOPGYRUGIDYQLU-ODPUSEOTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_586
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: C34255; Labnumber: MSHIT-0152; SBI_ID: SBI-000588
Synonyms N-[4-({[(dimethylamino)methylidene]amino}sulfonyl)phenyl]-2-[(5-{[(dimethylamino)methylidene]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
Temperature 318 °C