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3,6,14-tri-tert-butoxy-10-butyl-9-hydroxy-1,8,16-trimethoxytriptycene
SpectraBase Compound ID 8OoeoEuBF0
InChI InChI=1S/C39H52O7/c1-34(2,3)38-25-16-22(44-35(4,5)6)19-28(41-13)31(25)39(40,32-26(38)17-23(20-29(32)42-14)45-36(7,8)9)33-27(38)18-24(21-30(33)43-15)46-37(10,11)12/h16-21,40H,1-15H3
InChIKey DJMHJBJVYVAFDO-UHFFFAOYSA-N
Mol Weight 632.8 g/mol
Molecular Formula C39H52O7
Exact Mass 632.371304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7a6wxehjNBn
Name 3,6,14-tri-tert-butoxy-10-butyl-9-hydroxy-1,8,16-trimethoxytriptycene
Appearance Colorless prisms
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Exact Mass 632.371304007 u
Formula C39H52O7
InChI InChI=1S/C39H52O7/c1-34(2,3)38-25-16-22(44-35(4,5)6)19-28(41-13)31(25)39(40,32-26(38)17-23(20-29(32)42-14)45-36(7,8)9)33-27(38)18-24(21-30(33)43-15)46-37(10,11)12/h16-21,40H,1-15H3
InChIKey DJMHJBJVYVAFDO-UHFFFAOYSA-N
Instrument Name JEOL JMS 700
Ionization Type EI
Literature Reference DOI 10.1002/chem.202104160
Molecular Weight 632.838 g/mol
Reported Formula C39H52O7
SMILES OC12C3=C(C(C4=C2C(=CC(=C4)OC(C)(C)C)OC)(C2=C1C(=CC(=C2)OC(C)(C)C)OC)C(C)(C)C)C=C(C=C3OC)OC(C)(C)C
SPLASH splash10-0200-0000392000-ef689cb081dfb561308a
Source of Spectrum QE-28-SM4-1a (DOI: 10.1002/chem.202104160)
Wiley ID 1898303