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1-(1,3-benzodioxol-5-ylmethyl)-4-(5-bromo-2-furoyl)piperazin-1-ium

View entire compound with spectra: 1 NMR

1-(1,3-benzodioxol-5-ylmethyl)-4-(5-bromo-2-furoyl)piperazin-1-ium
SpectraBase Compound ID 1QZNJPVFyV6
InChI InChI=1S/C17H17BrN2O4/c18-16-4-3-14(24-16)17(21)20-7-5-19(6-8-20)10-12-1-2-13-15(9-12)23-11-22-13/h1-4,9H,5-8,10-11H2/p+1
InChIKey OYTMJMGKJHXVGJ-UHFFFAOYSA-O
Mol Weight 394.25 g/mol
Molecular Formula C17H18BrN2O4
Exact Mass 393.044995 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6JN3Uyna8tX
Name 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-bromo-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/C17H17BrN2O4/c18-16-4-3-14(24-16)17(21)20-7-5-19(6-8-20)10-12-1-2-13-15(9-12)23-11-22-13/h1-4,9H,5-8,10-11H2/p+1
InChIKey OYTMJMGKJHXVGJ-UHFFFAOYSA-O
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5467
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/8162257; UBI_ID: UBI-005469
Temperature 318 °C