(2E)-1-(1-adamantyl)-3-{4-methoxy-3-[(2-pyridinyloxy)methyl]phenyl}-2-propen-1-one

SpectraBase Compound ID	JCnT4vL6SAh
InChI	InChI=1S/C26H29NO3/c1-29-23-7-5-18(13-22(23)17-30-25-4-2-3-9-27-25)6-8-24(28)26-14-19-10-20(15-26)12-21(11-19)16-26/h2-9,13,19-21H,10-12,14-17H2,1H3/b8-6+/t19-,20+,21-,26-
InChIKey	DNEVVYMMTCAJNJ-MFCRBPRESA-N Google Search
Mol Weight	403.52 g/mol
Molecular Formula	C26H29NO3
Exact Mass	403.214744 g/mol

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SpectraBase Spectrum ID	1gc5d2sbUVp
Name	(2E)-1-(1-adamantyl)-3-{4-methoxy-3-[(2-pyridinyloxy)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/C26H29NO3/c1-29-23-7-5-18(13-22(23)17-30-25-4-2-3-9-27-25)6-8-24(28)26-14-19-10-20(15-26)12-21(11-19)16-26/h2-9,13,19-21H,10-12,14-17H2,1H3/b8-6+/t19-,20+,21-,26-
InChIKey	DNEVVYMMTCAJNJ-MFCRBPRESA-N
NMR Offset	17.5268
NMR Spectrometer Frequency	500.138
Observed nucleus	1H
Origin	1H_UBI_21270_20547
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/9193845; UBI_ID: UBI-020551
Synonyms	1-(1-adamantyl)-3-{4-methoxy-3-[(2-pyridinyloxy)methyl]phenyl}-2-propen-1-one
Temperature	300 °C