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2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SpectraBase Compound ID 443BGlFJHvw
InChI InChI=1S/C27H29N5O3S/c1-19(25(33)28-17-16-20-14-15-23(34-2)24(18-20)35-3)36-27-31-30-26(29-21-10-6-4-7-11-21)32(27)22-12-8-5-9-13-22/h4-15,18-19H,16-17H2,1-3H3,(H,28,33)(H,29,30)
InChIKey NNBUZYJCTIHHQY-UHFFFAOYSA-N
Mol Weight 503.62 g/mol
Molecular Formula C27H29N5O3S
Exact Mass 503.199111 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2eER7cygu3b
Name 2-[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
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/C27H29N5O3S/c1-19(25(33)28-17-16-20-14-15-23(34-2)24(18-20)35-3)36-27-31-30-26(29-21-10-6-4-7-11-21)32(27)22-12-8-5-9-13-22/h4-15,18-19H,16-17H2,1-3H3,(H,28,33)(H,29,30)
InChIKey NNBUZYJCTIHHQY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5781
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/11231506; Labnumber: LP-2110444; IOH_ID: IOH-005782