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1-(1,3-benzodioxol-5-ylmethyl)-4-{5-[(2-chlorophenoxy)methyl]-2-furoyl}piperazin-1-ium
SpectraBase Compound ID 7SdnBecPIb2
InChI InChI=1S/C24H23ClN2O5/c25-19-3-1-2-4-20(19)29-15-18-6-8-22(32-18)24(28)27-11-9-26(10-12-27)14-17-5-7-21-23(13-17)31-16-30-21/h1-8,13H,9-12,14-16H2/p+1
InChIKey VBMWOZQJJGTERD-UHFFFAOYSA-O
Mol Weight 455.92 g/mol
Molecular Formula C24H24ClN2O5
Exact Mass 455.137375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 79e6t98PLMR
Name 1-(1,3-benzodioxol-5-ylmethyl)-4-{5-[(2-chlorophenoxy)methyl]-2-furoyl}piperazin-1-ium
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/C24H23ClN2O5/c25-19-3-1-2-4-20(19)29-15-18-6-8-22(32-18)24(28)27-11-9-26(10-12-27)14-17-5-7-21-23(13-17)31-16-30-21/h1-8,13H,9-12,14-16H2/p+1
InChIKey VBMWOZQJJGTERD-UHFFFAOYSA-O
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3712
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/8104945; UBI_ID: UBI-003713
Temperature 308 °C