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

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2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)acetamide
SpectraBase Compound ID GzRh0sRJh6p
InChI InChI=1S/C23H26N4O2S/c1-4-14-27-21(15-29-18-10-6-5-7-11-18)25-26-23(27)30-16-22(28)24-20-13-9-8-12-19(20)17(2)3/h4-13,17H,1,14-16H2,2-3H3,(H,24,28)
InChIKey VOCNCIYRXXCRBR-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 2aSEUfGRynz
Name 2-{[4-allyl-5-(phenoxymethyl)-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/c1-4-14-27-21(15-29-18-10-6-5-7-11-18)25-26-23(27)30-16-22(28)24-20-13-9-8-12-19(20)17(2)3/h4-13,17H,1,14-16H2,2-3H3,(H,24,28)
InChIKey VOCNCIYRXXCRBR-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11173
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: E06188; Labnumber: GRES-17857; SBI_ID: SBI-011176
Temperature 306 °C