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1-{4-[(2-chlorophenoxy)methyl]benzoyl}hexahydro-1H-azepine
SpectraBase Compound ID 80p789a7sDt
InChI InChI=1S/C20H22ClNO2/c21-18-7-3-4-8-19(18)24-15-16-9-11-17(12-10-16)20(23)22-13-5-1-2-6-14-22/h3-4,7-12H,1-2,5-6,13-15H2
InChIKey GWUIWEXADFUPMK-UHFFFAOYSA-N
Mol Weight 343.85 g/mol
Molecular Formula C20H22ClNO2
Exact Mass 343.133907 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GeEIydBlvtC
Name 1-{4-[(2-chlorophenoxy)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/C20H22ClNO2/c21-18-7-3-4-8-19(18)24-15-16-9-11-17(12-10-16)20(23)22-13-5-1-2-6-14-22/h3-4,7-12H,1-2,5-6,13-15H2
InChIKey GWUIWEXADFUPMK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_320
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/9058445; Labnumber: 619-0000554; UZI_ID: UZI-000321
Synonyms 2-chlorophenyl 4-(hexahydro-1H-azepin-1-ylcarbonyl)benzyl ether
Temperature 308 °C