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GCSWGAONLNBUBH-UHFFFAOYSA-N

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GCSWGAONLNBUBH-UHFFFAOYSA-N
SpectraBase Compound ID AEug11xEMjh
InChI InChI=1S/C8H6BrNO2/c1-8(9)6-5(7(11)12-8)3-2-4-10-6/h2-4H,1H3
InChIKey GCSWGAONLNBUBH-UHFFFAOYSA-N
Mol Weight 228.04 g/mol
Molecular Formula C8H6BrNO2
Exact Mass 226.958191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8NtAAqpJTQ
Name 4-AZA-3-BROMO-3-METHYL-1(3H)-ISOBENZOFURANONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6BrNO2
InChI InChI=1S/C8H6BrNO2/c1-8(9)6-5(7(11)12-8)3-2-4-10-6/h2-4H,1H3
InChIKey GCSWGAONLNBUBH-UHFFFAOYSA-N
Literature Reference Author H.NAGANO,M.HAMANA,Y.NAWATA
Literature Reference Citation HETEROCYCLES,26,1263(1987)
Literature Reference DOI 10.3987/R-1987-05-1263
Molecular Weight 228.045 g/mol
Solvent CDCl3
Source File Reference UWED5055