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1-{4-[(4-iodophenoxy)methyl]benzoyl}hexahydro-1H-azepine
SpectraBase Compound ID 9nnmRetlCa1
InChI InChI=1S/C20H22INO2/c21-18-9-11-19(12-10-18)24-15-16-5-7-17(8-6-16)20(23)22-13-3-1-2-4-14-22/h5-12H,1-4,13-15H2
InChIKey TZTIXYYCXMGBOP-UHFFFAOYSA-N
Mol Weight 435.31 g/mol
Molecular Formula C20H22INO2
Exact Mass 435.069524 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KUKNjDKHqty
Name 1-{4-[(4-iodophenoxy)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/C20H22INO2/c21-18-9-11-19(12-10-18)24-15-16-5-7-17(8-6-16)20(23)22-13-3-1-2-4-14-22/h5-12H,1-4,13-15H2
InChIKey TZTIXYYCXMGBOP-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10218
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/9068998; UBI_ID: UBI-010221
Synonyms 4-(hexahydro-1H-azepin-1-ylcarbonyl)benzyl 4-iodophenyl ether
Temperature 313 °C