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2-[(2''-But-3''-yn-1''-yl)naphthalen-1'-yl]ethynyl]-3-{[1"'-methyl-3"'-(p-methylphenyl)prop-2"'-yn-1"'-yl]oxymethyl}-pyridine
SpectraBase Compound ID 8lpbyVxLTBG
InChI InChI=1S/C33H27NO/c1-4-5-9-28-19-20-29-10-6-7-12-31(29)32(28)21-22-33-30(11-8-23-34-33)24-35-26(3)15-18-27-16-13-25(2)14-17-27/h1,6-8,10-14,16-17,19-20,23,26H,5,9,24H2,2-3H3/t26-/m0/s1
InChIKey YZYFTSKGMLICHL-SANMLTNESA-N
Mol Weight 453.6 g/mol
Molecular Formula C33H27NO
Exact Mass 453.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LM3KmOawmeN
Name 2-[(2''-But-3''-yn-1''-yl)naphthalen-1'-yl]ethynyl]-3-{[1"'-methyl-3"'-(p-methylphenyl)prop-2"'-yn-1"'-yl]oxymethyl}-pyridine
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Formula C33H27NO
InChI InChI=1S/C33H27NO/c1-4-5-9-28-19-20-29-10-6-7-12-31(29)32(28)21-22-33-30(11-8-23-34-33)24-35-26(3)15-18-27-16-13-25(2)14-17-27/h1,6-8,10-14,16-17,19-20,23,26H,5,9,24H2,2-3H3/t26-/m0/s1
InChIKey YZYFTSKGMLICHL-SANMLTNESA-N
Molecular Weight 453.585 g/mol
SMILES C(#Cc1c(CO[C@](C#Cc2ccc(cc2)C)(C)[H])cccn1)c1c2c(cccc2)ccc1CCC#C
SPLASH splash10-03fu-6521900000-6178475abf226ca0cda5
Source of Spectrum G-74-209-28
Wiley ID 1693224