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N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide
SpectraBase Compound ID HxDcwd4fC4J
InChI InChI=1S/C21H23N3O2S2/c1-3-4-11-22-19(25)13-27-21-24-17-10-9-15(12-18(17)28-21)23-20(26)16-8-6-5-7-14(16)2/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKey ZODWTBSETRXBPF-UHFFFAOYSA-N
Mol Weight 413.55 g/mol
Molecular Formula C21H23N3O2S2
Exact Mass 413.123169 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ZYTJiYAtc5
Name N-(2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylbenzamide
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/C21H23N3O2S2/c1-3-4-11-22-19(25)13-27-21-24-17-10-9-15(12-18(17)28-21)23-20(26)16-8-6-5-7-14(16)2/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKey ZODWTBSETRXBPF-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_3589
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: ZI/7059053; Labnumber: LP-0602082; IOH_ID: IOH-003590
Temperature 297 °C