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CIRCUMDATIN_K
SpectraBase Compound ID BwRjsA7KPRS
InChI InChI=1S/C16H11N3O3/c20-12-7-3-5-10-14(12)18-13-8-17-15(21)9-4-1-2-6-11(9)19(13)16(10)22/h1-7,20H,8H2,(H,17,21)
InChIKey KYEPZJDETIRBHT-UHFFFAOYSA-N
Mol Weight 293.28 g/mol
Molecular Formula C16H11N3O3
Exact Mass 293.080041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LLpOZRCBKde
Name CIRCUMDATIN_K
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H11N3O3
InChI InChI=1S/C16H11N3O3/c20-12-7-3-5-10-14(12)18-13-8-17-15(21)9-4-1-2-6-11(9)19(13)16(10)22/h1-7,20H,8H2,(H,17,21)
InChIKey KYEPZJDETIRBHT-UHFFFAOYSA-N
Literature Reference Author J.PENG,X.Y.ZHANG,Z.C.TU,X.Y.XU,S.H.QI
Literature Reference Citation J.NAT.PROD.,76,983(2013)
Literature Reference DOI 10.1021/np400132m
Molecular Weight 293.282 g/mol
Sample ID 42552
Solvent DMSO