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2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)acetamide
SpectraBase Compound ID ILY3ugHikD9
InChI InChI=1S/C28H23ClN4O3S/c1-35-22-15-11-21(12-16-22)33-26(17-36-23-13-9-20(29)10-14-23)31-32-28(33)37-18-27(34)30-25-8-4-6-19-5-2-3-7-24(19)25/h2-16H,17-18H2,1H3,(H,30,34)
InChIKey HWGPSQCQVASPFH-UHFFFAOYSA-N
Mol Weight 531.03 g/mol
Molecular Formula C28H23ClN4O3S
Exact Mass 530.117939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3wu1iiByXsb
Name 2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-naphthyl)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/C28H23ClN4O3S/c1-35-22-15-11-21(12-16-22)33-26(17-36-23-13-9-20(29)10-14-23)31-32-28(33)37-18-27(34)30-25-8-4-6-19-5-2-3-7-24(19)25/h2-16H,17-18H2,1H3,(H,30,34)
InChIKey HWGPSQCQVASPFH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11482
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: E06390; Labnumber: GRES-21853; SBI_ID: SBI-011485
Temperature 308 °C