Debug Info

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AGHy2dOvL3s
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AGHy2dOvL3s
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Tris{3-(4-tert-butylpheynyl)-2-methoxyphenyl}methane
SpectraBase Compound ID 4M55V5s4zI1
InChI InChI=1S/C52H58O3/c1-50(2,3)37-28-22-34(23-29-37)40-16-13-19-43(47(40)53-10)46(44-20-14-17-41(48(44)54-11)35-24-30-38(31-25-35)51(4,5)6)45-21-15-18-42(49(45)55-12)36-26-32-39(33-27-36)52(7,8)9/h13-33,46H,1-12H3
InChIKey LOLFHDWUTRPNRS-UHFFFAOYSA-N
Mol Weight 731.0 g/mol
Molecular Formula C52H58O3
Exact Mass 730.438596 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AGHy2dOvL3s
Name Tris{3-(4-tert-butylpheynyl)-2-methoxyphenyl}methane
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H58O3
InChI InChI=1S/C52H58O3/c1-50(2,3)37-28-22-34(23-29-37)40-16-13-19-43(47(40)53-10)46(44-20-14-17-41(48(44)54-11)35-24-30-38(31-25-35)51(4,5)6)45-21-15-18-42(49(45)55-12)36-26-32-39(33-27-36)52(7,8)9/h13-33,46H,1-12H3
InChIKey LOLFHDWUTRPNRS-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.1002/chem.202003594
Molecular Weight 731.033 g/mol
Reported Formula C52H58O3
SMILES c1c(c(c(cc1)C(c1cccc(c1OC)-c1ccc(cc1)C(C)(C)C)c1cccc(c1OC)-c1ccc(cc1)C(C)(C)C)OC)-c1ccc(cc1)C(C)(C)C
SPLASH splash10-0f8a-3114105900-259e2ca81001b1f106d1
Source of Spectrum QE-26-SM19-10i
Wiley ID 1841129
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