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2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sec-butylphenyl)acetamide

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2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sec-butylphenyl)acetamide
SpectraBase Compound ID Kwspe4qHc3t
InChI InChI=1S/C25H30N4O2S/c1-5-15-29-23(16-31-22-13-7-18(3)8-14-22)27-28-25(29)32-17-24(30)26-21-11-9-20(10-12-21)19(4)6-2/h5,7-14,19H,1,6,15-17H2,2-4H3,(H,26,30)
InChIKey MVQFKXDLGWZHTP-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C25H30N4O2S
Exact Mass 450.208947 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2o3SClLqdGH
Name 2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-sec-butylphenyl)acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H30N4O2S/c1-5-15-29-23(16-31-22-13-7-18(3)8-14-22)27-28-25(29)32-17-24(30)26-21-11-9-20(10-12-21)19(4)6-2/h5,7-14,19H,1,6,15-17H2,2-4H3,(H,26,30)
InChIKey MVQFKXDLGWZHTP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11195
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: E06256; Labnumber: GRES-19095; SBI_ID: SBI-011198
Temperature 318 °C