(2E)-1-(1-adamantyl)-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-2-propen-1-one

SpectraBase Compound ID	6BI3WUIWLfv
InChI	InChI=1S/C24H27N3O4/c1-31-22-4-2-16(9-20(22)14-26-15-21(13-25-26)27(29)30)3-5-23(28)24-10-17-6-18(11-24)8-19(7-17)12-24/h2-5,9,13,15,17-19H,6-8,10-12,14H2,1H3/b5-3+/t17-,18+,19-,24-
InChIKey	NIBVSVWHAPJONF-KIEKJJEGSA-N Google Search
Mol Weight	421.5 g/mol
Molecular Formula	C24H27N3O4
Exact Mass	421.200156 g/mol

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SpectraBase Spectrum ID	GVpR9ywCloU
Name	(2E)-1-(1-adamantyl)-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-2-propen-1-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/C24H27N3O4/c1-31-22-4-2-16(9-20(22)14-26-15-21(13-25-26)27(29)30)3-5-23(28)24-10-17-6-18(11-24)8-19(7-17)12-24/h2-5,9,13,15,17-19H,6-8,10-12,14H2,1H3/b5-3+/t17-,18+,19-,24-
InChIKey	NIBVSVWHAPJONF-KIEKJJEGSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_1560
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: UZI/8022286; UBI_ID: UBI-001561
Synonyms	1-(1-adamantyl)-3-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-2-propen-1-one
Temperature	308 °C