ethanone, 1-[5-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4,5-dihydro-4-phenyl-1H-1,2,4-triazol-3-yl]-

SpectraBase Compound ID	K5LQWyWA27g
InChI	InChI=1S/C23H18ClN3O3/c1-15(28)22-25-27(19-10-8-17(24)9-11-19)23(26(22)18-5-3-2-4-6-18)16-7-12-20-21(13-16)30-14-29-20/h2-13,23H,14H2,1H3
InChIKey	XFBAPSGNWAAXCA-UHFFFAOYSA-N Google Search
Mol Weight	419.87 g/mol
Molecular Formula	C23H18ClN3O3
Exact Mass	419.103669 g/mol

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SpectraBase Spectrum ID	2lFIBfy8Cr6
Name	ethanone, 1-[5-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4,5-dihydro-4-phenyl-1H-1,2,4-triazol-3-yl]-
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/C23H18ClN3O3/c1-15(28)22-25-27(19-10-8-17(24)9-11-19)23(26(22)18-5-3-2-4-6-18)16-7-12-20-21(13-16)30-14-29-20/h2-13,23H,14H2,1H3
InChIKey	XFBAPSGNWAAXCA-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_CB_8313_1800
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: NMR/9223714; Labnumber: LP-3900177
Temperature	303 °C