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N-[4-(acetylamino)phenyl]-2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID KuwLtidvzrr
InChI InChI=1S/C25H29N5O2S/c1-6-15-30-23(18-7-9-19(10-8-18)25(3,4)5)28-29-24(30)33-16-22(32)27-21-13-11-20(12-14-21)26-17(2)31/h6-14H,1,15-16H2,2-5H3,(H,26,31)(H,27,32)
InChIKey AZRSCDBWZUCKKP-UHFFFAOYSA-N
Mol Weight 463.6 g/mol
Molecular Formula C25H29N5O2S
Exact Mass 463.204196 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hrt2IDskK4M
Name N-[4-(acetylamino)phenyl]-2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C25H29N5O2S/c1-6-15-30-23(18-7-9-19(10-8-18)25(3,4)5)28-29-24(30)33-16-22(32)27-21-13-11-20(12-14-21)26-17(2)31/h6-14H,1,15-16H2,2-5H3,(H,26,31)(H,27,32)
InChIKey AZRSCDBWZUCKKP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4916
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: E08363; Labnumber: GRES-36970; SBI_ID: SBI-004918
Temperature 308 °C