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3-(4-chlorophenyl)-1-{2-[(2-isopropyl-5-methylcyclohexyl)oxy]-2-oxoethyl}-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium chloride

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3-(4-chlorophenyl)-1-{2-[(2-isopropyl-5-methylcyclohexyl)oxy]-2-oxoethyl}-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium chloride
SpectraBase Compound ID FWTxbOqnXfm
InChI InChI=1S/C26H36ClN2O2.ClH/c1-18(2)22-13-8-19(3)15-24(22)31-26(30)17-28-16-23(20-9-11-21(27)12-10-20)29-14-6-4-5-7-25(28)29;/h9-12,16,18-19,22,24H,4-8,13-15,17H2,1-3H3;1H/q+1;/p-1
InChIKey OYMCMTBEXDWEKC-UHFFFAOYSA-M
Mol Weight 479.5 g/mol
Molecular Formula C26H36Cl2N2O2
Exact Mass 478.215384 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CI9ARcEbLY2
Name 3-(4-chlorophenyl)-1-{2-[(2-isopropyl-5-methylcyclohexyl)oxy]-2-oxoethyl}-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-1-ium chloride
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/C26H36ClN2O2.ClH/c1-18(2)22-13-8-19(3)15-24(22)31-26(30)17-28-16-23(20-9-11-21(27)12-10-20)29-14-6-4-5-7-25(28)29;/h9-12,16,18-19,22,24H,4-8,13-15,17H2,1-3H3;1H/q+1;/p-1
InChIKey OYMCMTBEXDWEKC-UHFFFAOYSA-M
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9827
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: 128564; Labnumber: EX00112592; VK_ID: VK-009831
Temperature 315 °C