2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[1,1'-biphenyl]-4-ylethanone

SpectraBase Compound ID	3XAGObn9LNp
InChI	InChI=1S/C26H23N3O2S/c1-2-17-29-25(18-31-23-11-7-4-8-12-23)27-28-26(29)32-19-24(30)22-15-13-21(14-16-22)20-9-5-3-6-10-20/h2-16H,1,17-19H2
InChIKey	BOESGQXQAXTDCE-UHFFFAOYSA-N Google Search
Mol Weight	441.55 g/mol
Molecular Formula	C26H23N3O2S
Exact Mass	441.151098 g/mol

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SpectraBase Spectrum ID	KISpzLT06En
Name	2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[1,1'-biphenyl]-4-ylethanone
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/C26H23N3O2S/c1-2-17-29-25(18-31-23-11-7-4-8-12-23)27-28-26(29)32-19-24(30)22-15-13-21(14-16-22)20-9-5-3-6-10-20/h2-16H,1,17-19H2
InChIKey	BOESGQXQAXTDCE-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4947
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: E08410; Labnumber: GRES-37029; SBI_ID: SBI-004949
Temperature	308 °C