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3-{[1"'-Methyl-3"'-(p-methylphenyl)prop-2"'-yn-1"'-yl]oxymethyl}-2-[{2'-[4''-(p-methylphenyl)but-3''-yn-1''-yl]naphthalen-1'-yl}ethynyl]-pyridine
SpectraBase Compound ID 6pqxycO5Mrh
InChI InChI=1S/C40H33NO/c1-30-14-19-33(20-15-30)9-4-5-10-36-25-24-35-11-6-7-13-38(35)39(36)26-27-40-37(12-8-28-41-40)29-42-32(3)18-23-34-21-16-31(2)17-22-34/h6-8,11-17,19-22,24-25,28,32H,5,10,29H2,1-3H3/t32-/m0/s1
InChIKey CARHEWLAMTXRQY-YTTGMZPUSA-N
Mol Weight 543.7 g/mol
Molecular Formula C40H33NO
Exact Mass 543.256215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oMco3sOelL
Name 3-{[1"'-Methyl-3"'-(p-methylphenyl)prop-2"'-yn-1"'-yl]oxymethyl}-2-[{2'-[4''-(p-methylphenyl)but-3''-yn-1''-yl]naphthalen-1'-yl}ethynyl]-pyridine
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Formula C40H33NO
InChI InChI=1S/C40H33NO/c1-30-14-19-33(20-15-30)9-4-5-10-36-25-24-35-11-6-7-13-38(35)39(36)26-27-40-37(12-8-28-41-40)29-42-32(3)18-23-34-21-16-31(2)17-22-34/h6-8,11-17,19-22,24-25,28,32H,5,10,29H2,1-3H3/t32-/m0/s1
InChIKey CARHEWLAMTXRQY-YTTGMZPUSA-N
Molecular Weight 543.710 g/mol
SMILES C(#Cc1c(CO[C@](C#Cc2ccc(cc2)C)(C)[H])cccn1)c1c2c(cccc2)ccc1CCC#Cc1ccc(cc1)C
SPLASH splash10-052f-9000010000-aaeb024c0975b3eab0a0
Source of Spectrum G-74-210-29
Wiley ID 1693223