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1-{5-[(2-chlorophenoxy)methyl]-2-furoyl}hexahydro-1H-azepine
SpectraBase Compound ID IsspLeo3qw6
InChI InChI=1S/C18H20ClNO3/c19-15-7-3-4-8-16(15)22-13-14-9-10-17(23-14)18(21)20-11-5-1-2-6-12-20/h3-4,7-10H,1-2,5-6,11-13H2
InChIKey MKRVVBQAJLOUNY-UHFFFAOYSA-N
Mol Weight 333.82 g/mol
Molecular Formula C18H20ClNO3
Exact Mass 333.113171 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EUQDXuU5XRH
Name 1-{5-[(2-chlorophenoxy)methyl]-2-furoyl}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/C18H20ClNO3/c19-15-7-3-4-8-16(15)22-13-14-9-10-17(23-14)18(21)20-11-5-1-2-6-12-20/h3-4,7-10H,1-2,5-6,11-13H2
InChIKey MKRVVBQAJLOUNY-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_470
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/9049818; Labnumber: 619-0002542; UZI_ID: UZI-000471
Synonyms 2-chlorophenyl [5-(hexahydro-1H-azepin-1-ylcarbonyl)-2-furyl]methyl ether
Temperature 308 °C