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2-{[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
SpectraBase Compound ID Hi5hR7AtKVm
InChI InChI=1S/C19H21N5O3S/c1-24-18(12-5-4-6-13(20)9-12)22-23-19(24)28-11-17(25)21-15-10-14(26-2)7-8-16(15)27-3/h4-10H,11,20H2,1-3H3,(H,21,25)
InChIKey KGIHANWKXQHCRW-UHFFFAOYSA-N
Mol Weight 399.47 g/mol
Molecular Formula C19H21N5O3S
Exact Mass 399.136511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BwwMit4vgR9
Name 2-{[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)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/C19H21N5O3S/c1-24-18(12-5-4-6-13(20)9-12)22-23-19(24)28-11-17(25)21-15-10-14(26-2)7-8-16(15)27-3/h4-10H,11,20H2,1-3H3,(H,21,25)
InChIKey KGIHANWKXQHCRW-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7249
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: D28908; Labnumber: SPKOL-4446; SBI_ID: SBI-007252
Temperature 306 °C