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2-METHYL-4-[5-([5-[(5-NITRO-1-NAPHTHYL)-ETHYNYL]-1-NAPHTHYL]-ETHYNYL)-1-NAPHTHYL]-BUT-3-YN-2-OL
SpectraBase Compound ID Vkj3CCd3LS
InChI InChI=1S/C39H25NO3/c1-39(2,41)26-25-31-13-6-16-34-29(11-5-17-35(31)34)22-21-27-9-3-15-33-28(10-4-14-32(27)33)23-24-30-12-7-19-37-36(30)18-8-20-38(37)40(42)43/h3-20,41H,1-2H3
InChIKey GJJPXVCVICYLJT-UHFFFAOYSA-N
Mol Weight 555.6 g/mol
Molecular Formula C39H25NO3
Exact Mass 555.183444 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InyULLYClco
Name 2-METHYL-4-[5-([5-[(5-NITRO-1-NAPHTHYL)-ETHYNYL]-1-NAPHTHYL]-ETHYNYL)-1-NAPHTHYL]-BUT-3-YN-2-OL
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H25NO3
InChI InChI=1S/C39H25NO3/c1-39(2,41)26-25-31-13-6-16-34-29(11-5-17-35(31)34)22-21-27-9-3-15-33-28(10-4-14-32(27)33)23-24-30-12-7-19-37-36(30)18-8-20-38(37)40(42)43/h3-20,41H,1-2H3
InChIKey GJJPXVCVICYLJT-UHFFFAOYSA-N
Literature Reference Author J.G.RODRIGUEZ,J.L.TEJEDOR
Literature Reference Citation J.ORG.CHEM.,67,7631(2002)
Literature Reference DOI 10.1021/jo0203589
Molecular Weight 555.632 g/mol
Solvent C6D6NO2
Source File Reference UWSI22318