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2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SpectraBase Compound ID 9wi753bJZKP
InChI InChI=1S/C25H21ClN4O4S/c1-32-20-5-3-2-4-19(20)24-28-29-25(30(24)18-9-6-16(26)7-10-18)35-15-23(31)27-17-8-11-21-22(14-17)34-13-12-33-21/h2-11,14H,12-13,15H2,1H3,(H,27,31)
InChIKey IVNIIPRUVJLLEI-UHFFFAOYSA-N
Mol Weight 508.98 g/mol
Molecular Formula C25H21ClN4O4S
Exact Mass 508.097204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Ayqapj3Egt
Name 2-{[4-(4-chlorophenyl)-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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/C25H21ClN4O4S/c1-32-20-5-3-2-4-19(20)24-28-29-25(30(24)18-9-6-16(26)7-10-18)35-15-23(31)27-17-8-11-21-22(14-17)34-13-12-33-21/h2-11,14H,12-13,15H2,1H3,(H,27,31)
InChIKey IVNIIPRUVJLLEI-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11151
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: E06156; Labnumber: GRES-17367; SBI_ID: SBI-011154
Temperature 306 °C