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17-Methyl[2.2.2](1,3,5)benzeno(3,3',3'')triphenylmethanophane

View entire compound with spectra: 1 MS (GC)

17-Methyl[2.2.2](1,3,5)benzeno(3,3',3'')triphenylmethanophane
SpectraBase Compound ID LuAprAfdZAV
InChI InChI=1S/C32H30/c1-32-29-8-2-5-23(20-29)11-14-26-17-27(15-12-24-6-3-9-30(32)21-24)19-28(18-26)16-13-25-7-4-10-31(32)22-25/h2-10,17-22H,11-16H2,1H3
InChIKey QSEWWLBEAIFSSS-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C32H30
Exact Mass 414.234751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KgOYsgpe9Q
Name 17-Methyl[2.2.2](1,3,5)benzeno(3,3',3'')triphenylmethanophane
CAS Registry Number 73651-37-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H30
InChI InChI=1S/C32H30/c1-32-29-8-2-5-23(20-29)11-14-26-17-27(15-12-24-6-3-9-30(32)21-24)19-28(18-26)16-13-25-7-4-10-31(32)22-25/h2-10,17-22H,11-16H2,1H3
InChIKey QSEWWLBEAIFSSS-UHFFFAOYSA-N
Molecular Weight 414.592 g/mol
SMILES C12(c3cc(CCc4cc(CCc5cc2ccc5)cc(CCc2cc1ccc2)c4)ccc3)C
SPLASH splash10-03dj-0004900000-d97bc6021936d57006ee
Source of Spectrum J-46-1614-0
Synonyms 1-methylhexacyclo[9.9.7.1(2,6).1(9,13).1(16,20).1(21,25)]hentriaconta-2(31),3,5,9,11,13(30),16(29),17,19,21(28),22,24-dodecaene 17-Methyl[2.2.2](1,3,5)benzeno(3,3',3'')triphenylmethanophane
Wiley ID 1375859