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2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyphenyl)acetamide
SpectraBase Compound ID Imq3lytoI12
InChI InChI=1S/C21H22IN5O2S/c1-3-12-27-19(13-23-16-10-8-15(22)9-11-16)25-26-21(27)30-14-20(28)24-17-6-4-5-7-18(17)29-2/h3-11,23H,1,12-14H2,2H3,(H,24,28)
InChIKey INNZTEMRJONLMO-UHFFFAOYSA-N
Mol Weight 535.4 g/mol
Molecular Formula C21H22IN5O2S
Exact Mass 535.053891 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F4CfPKcEYo3
Name 2-({4-allyl-5-[(4-iodoanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyphenyl)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/C21H22IN5O2S/c1-3-12-27-19(13-23-16-10-8-15(22)9-11-16)25-26-21(27)30-14-20(28)24-17-6-4-5-7-18(17)29-2/h3-11,23H,1,12-14H2,2H3,(H,24,28)
InChIKey INNZTEMRJONLMO-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4708
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: UZI/8127320; UBI_ID: UBI-004709
Temperature 313 °C