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Methanesulfonic acid, trifluoro-, 1,2,3,4-tetraphenyl-9H-tribenzo[a,c,e]cyclohepten-9-yl ester
SpectraBase Compound ID 61tAolBN2TN
InChI InChI=1S/C44H29F3O3S/c45-44(46,47)51(48,49)50-43-35-27-15-13-25-33(35)41-39(31-21-9-3-10-22-31)37(29-17-5-1-6-18-29)38(30-19-7-2-8-20-30)40(32-23-11-4-12-24-32)42(41)34-26-14-16-28-36(34)43/h1-28,43H
InChIKey IBEBBXYBWAZLOP-UHFFFAOYSA-N
Mol Weight 694.8 g/mol
Molecular Formula C44H29F3O3S
Exact Mass 694.17895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DbkGo4AWUUj
Name Methanesulfonic acid, trifluoro-, 1,2,3,4-tetraphenyl-9H-tribenzo[a,c,e]cyclohepten-9-yl ester
CAS Registry Number 59146-37-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H29F3O3S
InChI InChI=1S/C44H29F3O3S/c45-44(46,47)51(48,49)50-43-35-27-15-13-25-33(35)41-39(31-21-9-3-10-22-31)37(29-17-5-1-6-18-29)38(30-19-7-2-8-20-30)40(32-23-11-4-12-24-32)42(41)34-26-14-16-28-36(34)43/h1-28,43H
InChIKey IBEBBXYBWAZLOP-UHFFFAOYSA-N
Molecular Weight 694.768 g/mol
SMILES C(S(OC1c2c(-c3c(c(-c4ccccc4)c(c(c3-c3c1cccc3)-c1ccccc1)-c1ccccc1)-c1ccccc1)cccc2)(=O)=O)(F)(F)F
SPLASH splash10-0005-0000029000-85146cf1e3c0520f3d0e
Source of Spectrum K-109-1032-0
Synonyms 1,2,3,4-Tetraphenyl-9e-trifluoromethylsulfonyloxy-9H-tribenzo(a,c,E)cycloheptene 1,2,3,4-tetraphenyl-9H-tribenzo[a,c,e]cyclohepten-9-yl trifluoromethanesulfonate 9H-tribenzo[a,c,e]cycloheptene, methanesulfonic acid deriv.
Wiley ID 1414881