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2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-6-tert-butyl-4H-pyran-3,5-dicarbonitrile

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2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-6-tert-butyl-4H-pyran-3,5-dicarbonitrile
SpectraBase Compound ID 58Ou4dpLFhF
InChI InChI=1S/C18H16BrN3O3/c1-18(2,3)16-10(6-20)15(11(7-21)17(22)25-16)9-4-13-14(5-12(9)19)24-8-23-13/h4-5,15H,8,22H2,1-3H3
InChIKey QVVAQOBOUZISFJ-UHFFFAOYSA-N
Mol Weight 402.25 g/mol
Molecular Formula C18H16BrN3O3
Exact Mass 401.037504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bb9S1zUPdBR
Name 2-amino-4-(6-bromo-1,3-benzodioxol-5-yl)-6-tert-butyl-4H-pyran-3,5-dicarbonitrile
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/C18H16BrN3O3/c1-18(2,3)16-10(6-20)15(11(7-21)17(22)25-16)9-4-13-14(5-12(9)19)24-8-23-13/h4-5,15H,8,22H2,1-3H3
InChIKey QVVAQOBOUZISFJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8575
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: 133138; Labnumber: SHEL-081; VK_ID: VK-008579
Temperature 308 °C