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1H-azepine, 1-[4-(2,4-dichlorophenoxy)-1-oxobutyl]hexahydro-
SpectraBase Compound ID KUCdURuvBaM
InChI InChI=1S/C16H21Cl2NO2/c17-13-7-8-15(14(18)12-13)21-11-5-6-16(20)19-9-3-1-2-4-10-19/h7-8,12H,1-6,9-11H2
InChIKey AJFCMCAKEYKSOV-UHFFFAOYSA-N
Mol Weight 330.26 g/mol
Molecular Formula C16H21Cl2NO2
Exact Mass 329.094934 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HqoKXaWiIV2
Name 1-[4-(2,4-dichlorophenoxy)butanoyl]hexahydro-1H-azepine
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/C16H21Cl2NO2/c17-13-7-8-15(14(18)12-13)21-11-5-6-16(20)19-9-3-1-2-4-10-19/h7-8,12H,1-6,9-11H2
InChIKey AJFCMCAKEYKSOV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15322
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/6212600; UBI_ID: UBI-015325
Synonyms 2,4-dichlorophenyl 4-hexahydro-1H-azepin-1-yl-4-oxobutyl ether
Temperature 318 °C