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1-{5-[(2,5-dichlorophenoxy)methyl]-2-furoyl}hexahydro-1H-azepine
SpectraBase Compound ID DvK99ov3Yf3
InChI InChI=1S/C18H19Cl2NO3/c19-13-5-7-15(20)17(11-13)23-12-14-6-8-16(24-14)18(22)21-9-3-1-2-4-10-21/h5-8,11H,1-4,9-10,12H2
InChIKey DQDYJTVTXVFLDC-UHFFFAOYSA-N
Mol Weight 368.26 g/mol
Molecular Formula C18H19Cl2NO3
Exact Mass 367.074199 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GIHdpFVZqUW
Name 1-{5-[(2,5-dichlorophenoxy)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/C18H19Cl2NO3/c19-13-5-7-15(20)17(11-13)23-12-14-6-8-16(24-14)18(22)21-9-3-1-2-4-10-21/h5-8,11H,1-4,9-10,12H2
InChIKey DQDYJTVTXVFLDC-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8776
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/9035611; UBI_ID: UBI-008779
Synonyms 2,5-dichlorophenyl [5-(hexahydro-1H-azepin-1-ylcarbonyl)-2-furyl]methyl ether
Temperature 308 °C