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3-pyrrolidineacetonitrile, alpha~3~-(azanylidynemethyl)-1-(4-bromophenyl)-2,5-dioxo-

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3-pyrrolidineacetonitrile, alpha~3~-(azanylidynemethyl)-1-(4-bromophenyl)-2,5-dioxo-
SpectraBase Compound ID 2IBaS5edlya
InChI InChI=1S/C13H8BrN3O2/c14-9-1-3-10(4-2-9)17-12(18)5-11(13(17)19)8(6-15)7-16/h1-4,8,11H,5H2
InChIKey IYBHCNHKBIIKHE-UHFFFAOYSA-N
Mol Weight 318.13 g/mol
Molecular Formula C13H8BrN3O2
Exact Mass 316.97999 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9e6tMXGeVg0
Name 3-pyrrolidineacetonitrile, alpha~3~-(azanylidynemethyl)-1-(4-bromophenyl)-2,5-dioxo-
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/C13H8BrN3O2/c14-9-1-3-10(4-2-9)17-12(18)5-11(13(17)19)8(6-15)7-16/h1-4,8,11H,5H2
InChIKey IYBHCNHKBIIKHE-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_1109
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: NMR/8295401; Labnumber: FNG-0000004
Temperature 303 °C