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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
SpectraBase Compound ID ABYmDdBT5Jq
InChI InChI=1S/C24H27ClN4OS/c1-6-13-29-22(17-8-10-18(11-9-17)24(3,4)5)27-28-23(29)31-15-21(30)26-20-14-19(25)12-7-16(20)2/h6-12,14H,1,13,15H2,2-5H3,(H,26,30)
InChIKey SNIGGZDYPKPZQK-UHFFFAOYSA-N
Mol Weight 455.02 g/mol
Molecular Formula C24H27ClN4OS
Exact Mass 454.15941 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1RX74oC2WYm
Name 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)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/C24H27ClN4OS/c1-6-13-29-22(17-8-10-18(11-9-17)24(3,4)5)27-28-23(29)31-15-21(30)26-20-14-19(25)12-7-16(20)2/h6-12,14H,1,13,15H2,2-5H3,(H,26,30)
InChIKey SNIGGZDYPKPZQK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14580
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: D98726; Labnumber: GRES-25534; SBI_ID: SBI-014583
Temperature 318 °C