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2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)acetamide

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2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)acetamide
SpectraBase Compound ID KDg02agKGkL
InChI InChI=1S/C23H26N4O2S/c1-5-13-27-22(17-9-8-10-18(14-17)29-4)25-26-23(27)30-15-21(28)24-20-12-7-6-11-19(20)16(2)3/h5-12,14,16H,1,13,15H2,2-4H3,(H,24,28)
InChIKey YDXXVZCDUXUUKK-UHFFFAOYSA-N
Mol Weight 422.55 g/mol
Molecular Formula C23H26N4O2S
Exact Mass 422.177647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5M78wKMoN6v
Name 2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)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/C23H26N4O2S/c1-5-13-27-22(17-9-8-10-18(14-17)29-4)25-26-23(27)30-15-21(28)24-20-12-7-6-11-19(20)16(2)3/h5-12,14,16H,1,13,15H2,2-4H3,(H,24,28)
InChIKey YDXXVZCDUXUUKK-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11240
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: E06524; Labnumber: GRES-24089; SBI_ID: SBI-011243
Temperature 315 °C