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2-{[4-allyl-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
SpectraBase Compound ID 1HmEBkoU7xj
InChI InChI=1S/C21H20N6O2S/c1-3-12-26-20(13-27-18-7-5-4-6-17(18)22-25-27)23-24-21(26)30-14-19(28)15-8-10-16(29-2)11-9-15/h3-11H,1,12-14H2,2H3
InChIKey NDDKEQJERZNWIG-UHFFFAOYSA-N
Mol Weight 420.49 g/mol
Molecular Formula C21H20N6O2S
Exact Mass 420.136845 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cyi2GV1laA4
Name 2-{[4-allyl-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
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/C21H20N6O2S/c1-3-12-26-20(13-27-18-7-5-4-6-17(18)22-25-27)23-24-21(26)30-14-19(28)15-8-10-16(29-2)11-9-15/h3-11H,1,12-14H2,2H3
InChIKey NDDKEQJERZNWIG-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16677
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/8164765; UBI_ID: UBI-016680
Temperature 313 °C