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2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
SpectraBase Compound ID 539s1x7mTua
InChI InChI=1S/C17H21N5O3S3/c1-22-14(10-27-17-19-12-4-2-3-5-13(12)28-17)20-21-16(22)26-11-15(24)18-6-8-25-9-7-23/h2-5,23H,6-11H2,1H3,(H,18,24)
InChIKey LHHKCPVKWJSONM-UHFFFAOYSA-N
Mol Weight 439.57 g/mol
Molecular Formula C17H21N5O3S3
Exact Mass 439.080653 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GXjlV5oJTa7
Name 2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-(2-hydroxyethoxy)ethyl]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/C17H21N5O3S3/c1-22-14(10-27-17-19-12-4-2-3-5-13(12)28-17)20-21-16(22)26-11-15(24)18-6-8-25-9-7-23/h2-5,23H,6-11H2,1H3,(H,18,24)
InChIKey LHHKCPVKWJSONM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10729
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: 135792; Labnumber: EX00131701; VK_ID: VK-010733
Temperature 318 °C