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

SpectraBase Compound ID	BoZyS7RZtni
InChI	InChI=1S/C21H21N3O3S/c1-4-13-24-20(16-7-11-18(27-3)12-8-16)22-23-21(24)28-14-19(25)15-5-9-17(26-2)10-6-15/h4-12H,1,13-14H2,2-3H3
InChIKey	CXPIIUIXCWRHFQ-UHFFFAOYSA-N Google Search
Mol Weight	395.48 g/mol
Molecular Formula	C21H21N3O3S
Exact Mass	395.130363 g/mol

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SpectraBase Spectrum ID	4X6BOWFHQBE
Name	2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
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/C21H21N3O3S/c1-4-13-24-20(16-7-11-18(27-3)12-8-16)22-23-21(24)28-14-19(25)15-5-9-17(26-2)10-6-15/h4-12H,1,13-14H2,2-3H3
InChIKey	CXPIIUIXCWRHFQ-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_4038
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: D98454; Labnumber: GRES-21234; SBI_ID: SBI-004040
Temperature	308 °C