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2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SpectraBase Compound ID 5geSlMiqLpA
InChI InChI=1S/C24H18Cl2N4O3S/c25-15-5-8-17(9-6-15)30-23(18-3-1-2-4-19(18)26)28-29-24(30)34-14-22(31)27-16-7-10-20-21(13-16)33-12-11-32-20/h1-10,13H,11-12,14H2,(H,27,31)
InChIKey CHOWYPDSGITDJB-UHFFFAOYSA-N
Mol Weight 513.4 g/mol
Molecular Formula C24H18Cl2N4O3S
Exact Mass 512.047667 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9reCGY8CA48
Name 2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-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/C24H18Cl2N4O3S/c25-15-5-8-17(9-6-15)30-23(18-3-1-2-4-19(18)26)28-29-24(30)34-14-22(31)27-16-7-10-20-21(13-16)33-12-11-32-20/h1-10,13H,11-12,14H2,(H,27,31)
InChIKey CHOWYPDSGITDJB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14543
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: D98669; Labnumber: GRES-24597; SBI_ID: SBI-014546
Temperature 308 °C