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1-{3-[(2,5-dichlorophenoxy)methyl]benzoyl}hexahydro-1H-azepine
SpectraBase Compound ID ANI8tE4NJw8
InChI InChI=1S/C20H21Cl2NO2/c21-17-8-9-18(22)19(13-17)25-14-15-6-5-7-16(12-15)20(24)23-10-3-1-2-4-11-23/h5-9,12-13H,1-4,10-11,14H2
InChIKey SOXNUZKUJRWBNL-UHFFFAOYSA-N
Mol Weight 378.3 g/mol
Molecular Formula C20H21Cl2NO2
Exact Mass 377.094934 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DkH4zyl0a9L
Name 1-{3-[(2,5-dichlorophenoxy)methyl]benzoyl}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/C20H21Cl2NO2/c21-17-8-9-18(22)19(13-17)25-14-15-6-5-7-16(12-15)20(24)23-10-3-1-2-4-11-23/h5-9,12-13H,1-4,10-11,14H2
InChIKey SOXNUZKUJRWBNL-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9497
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/9045351; UBI_ID: UBI-009500
Synonyms 2,5-dichlorophenyl 3-(hexahydro-1H-azepin-1-ylcarbonyl)benzyl ether
Temperature 313 °C