(4E)-4-(1-{[1-(1-adamantyl)ethyl]amino}ethylidene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

SpectraBase Compound ID	9XflVV3IJmo
InChI	InChI=1S/C25H27F3N4OS/c1-13(29-14(2)24-10-15-7-16(11-24)9-17(8-15)12-24)20-21(25(26,27)28)31-32(22(20)33)23-30-18-5-3-4-6-19(18)34-23/h3-6,14-17,29H,7-12H2,1-2H3/b20-13+/t14?,15-,16+,17-,24-
InChIKey	OUPUVDJGDONLNT-NRVRWWBISA-N Google Search
Mol Weight	488.57 g/mol
Molecular Formula	C25H27F3N4OS
Exact Mass	488.185767 g/mol

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SpectraBase Spectrum ID	BugCoo2Jvq7
Name	(4E)-4-(1-{[1-(1-adamantyl)ethyl]amino}ethylidene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
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/C25H27F3N4OS/c1-13(29-14(2)24-10-15-7-16(11-24)9-17(8-15)12-24)20-21(25(26,27)28)31-32(22(20)33)23-30-18-5-3-4-6-19(18)34-23/h3-6,14-17,29H,7-12H2,1-2H3/b20-13+/t14?,15-,16+,17-,24-
InChIKey	OUPUVDJGDONLNT-NRVRWWBISA-N
NMR Offset	15.3512
NMR Spectrometer Frequency	300.133
Observed nucleus	1H
Origin	1H_UBI_21270_8187
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	CDCl3
Source File Reference	VendorID: UZI/9029966; UBI_ID: UBI-008190
Synonyms	4-(1-{[1-(1-adamantyl)ethyl]amino}ethylidene)-2-(1,3-benzothiazol-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature	318 °C