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methyl 4-{[(3-{[4-(methoxycarbonyl)benzyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)sulfanyl]methyl}benzoate
SpectraBase Compound ID 505eEF8vOwg
InChI InChI=1S/C21H18N4O4S3/c1-28-17(26)15-7-3-13(4-8-15)11-30-19-22-23-20-25(19)24-21(32-20)31-12-14-5-9-16(10-6-14)18(27)29-2/h3-10H,11-12H2,1-2H3
InChIKey UESBEJPJLSOOHH-UHFFFAOYSA-N
Mol Weight 486.58 g/mol
Molecular Formula C21H18N4O4S3
Exact Mass 486.049019 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E5eb2WO8dnT
Name methyl 4-{[(3-{[4-(methoxycarbonyl)benzyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)sulfanyl]methyl}benzoate
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/C21H18N4O4S3/c1-28-17(26)15-7-3-13(4-8-15)11-30-19-22-23-20-25(19)24-21(32-20)31-12-14-5-9-16(10-6-14)18(27)29-2/h3-10H,11-12H2,1-2H3
InChIKey UESBEJPJLSOOHH-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3662
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: NMR/8241116; Labnumber: L-42.Shitov; IOH_ID: IOH-003663
Temperature 303 °C