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methyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-bromo-1H-indole-2-carboxylate
SpectraBase Compound ID HGJM40fLlDe
InChI InChI=1S/C18H13BrN2O5/c1-24-18(23)16-15(11-7-10(19)3-4-12(11)20-16)21-17(22)9-2-5-13-14(6-9)26-8-25-13/h2-7,20H,8H2,1H3,(H,21,22)
InChIKey LZUFVTNLOITXIM-UHFFFAOYSA-N
Mol Weight 417.22 g/mol
Molecular Formula C18H13BrN2O5
Exact Mass 416.000785 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 46LHOcpHP8G
Name methyl 3-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-bromo-1H-indole-2-carboxylate
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/C18H13BrN2O5/c1-24-18(23)16-15(11-7-10(19)3-4-12(11)20-16)21-17(22)9-2-5-13-14(6-9)26-8-25-13/h2-7,20H,8H2,1H3,(H,21,22)
InChIKey LZUFVTNLOITXIM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19435
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: D13715; Labnumber: SIMAK-01234; SBI_ID: SBI-019438
Temperature 318 °C