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AGGREGATIN_B;4-METHOXY-3'-METHYLNAPHTHO-[1.2-B]-OXEPIN-2'-(3'-H)-ONE
SpectraBase Compound ID B36e3U8dbxQ
InChI InChI=1S/C16H14O3/c1-10-7-8-11-9-14(18-2)12-5-3-4-6-13(12)15(11)19-16(10)17/h3-10H,1-2H3/t10-/m0/s1
InChIKey QSYRNTSUAYESPF-JTQLQIEISA-N
Mol Weight 254.28 g/mol
Molecular Formula C16H14O3
Exact Mass 254.094294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 19gWwGk3GYZ
Name AGGREGATIN_B;4-METHOXY-3'-METHYLNAPHTHO-[1.2-B]-OXEPIN-2'-(3'-H)-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H14O3
InChI InChI=1S/C16H14O3/c1-10-7-8-11-9-14(18-2)12-5-3-4-6-13(12)15(11)19-16(10)17/h3-10H,1-2H3/t10-/m0/s1
InChIKey QSYRNTSUAYESPF-JTQLQIEISA-N
Literature Reference Author M.H.VERDAN,A.BARISON,E.L.DESA,M.J.SALVADOR,C.B.POLIQUESI,M.N .EBERLIN,M.E.A.STEFA
Literature Reference Citation J.NAT.PROD.,73,1434(2010)
Literature Reference DOI 10.1021/np1002466
Molecular Weight 254.285 g/mol
Sample ID 36253
Solvent CDCl3