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BGHLGHRXOGSXMK-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

BGHLGHRXOGSXMK-UHFFFAOYSA-N
SpectraBase Compound ID MEiYb5cZiC
InChI InChI=1S/C14H11N3O7/c18-14(9-4-2-1-3-5-9)8-11-12(16(21)22)6-10(15(19)20)7-13(11)17(23)24/h1-7,10-11H,8H2
InChIKey BGHLGHRXOGSXMK-UHFFFAOYSA-N
Mol Weight 333.26 g/mol
Molecular Formula C14H11N3O7
Exact Mass 333.0597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5G0Ue9w37lo
Name BGHLGHRXOGSXMK-UHFFFAOYSA-N
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H11N3O7
InChI InChI=1S/C14H11N3O7/c18-14(9-4-2-1-3-5-9)8-11-12(16(21)22)6-10(15(19)20)7-13(11)17(23)24/h1-7,10-11H,8H2
InChIKey BGHLGHRXOGSXMK-UHFFFAOYSA-N
Literature Reference Author E.BUNCEL,J.M.DUST,R.A.MANDERVILLE
Literature Reference Citation J.AM.CHEM.SOC.,118,6072(1996)
Literature Reference DOI 10.1021/ja960590u
Molecular Weight 333.257 g/mol
Sample ID 36805
Solvent CD3CN:D2O=80:20