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

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2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)acetamide
SpectraBase Compound ID CUF36Ivie8y
InChI InChI=1S/C23H26N4O2S/c1-5-14-27-22(17-10-12-18(29-4)13-11-17)25-26-23(27)30-15-21(28)24-20-9-7-6-8-19(20)16(2)3/h5-13,16H,1,14-15H2,2-4H3,(H,24,28)
InChIKey YCKIRKVDDNEBKQ-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 8rgeEKRtaw9
Name 2-{[4-allyl-5-(4-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/c1-5-14-27-22(17-10-12-18(29-4)13-11-17)25-26-23(27)30-15-21(28)24-20-9-7-6-8-19(20)16(2)3/h5-13,16H,1,14-15H2,2-4H3,(H,24,28)
InChIKey YCKIRKVDDNEBKQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4046
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: D98470; Labnumber: GRES-21405; SBI_ID: SBI-004048
Temperature 308 °C