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1,4-Bis(3,6-di-tert-butyl-9-methoxy-9H-fluoren-9-yl)buta-1,3-diyne
SpectraBase Compound ID FDjKskqEM8r
InChI InChI=1S/C48H54O2/c1-43(2,3)31-17-21-39-35(27-31)36-28-32(44(4,5)6)18-22-40(36)47(39,49-13)25-15-16-26-48(50-14)41-23-19-33(45(7,8)9)29-37(41)38-30-34(46(10,11)12)20-24-42(38)48/h17-24,27-30H,1-14H3
InChIKey ANLKQCALWBLUHE-UHFFFAOYSA-N
Mol Weight 663.0 g/mol
Molecular Formula C48H54O2
Exact Mass 662.412381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4guB0ZxhqLc
Name 1,4-Bis(3,6-di-tert-butyl-9-methoxy-9H-fluoren-9-yl)buta-1,3-diyne
Appearance Brown powder
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Formula C48H54O2
InChI InChI=1S/C48H54O2/c1-43(2,3)31-17-21-39-35(27-31)36-28-32(44(4,5)6)18-22-40(36)47(39,49-13)25-15-16-26-48(50-14)41-23-19-33(45(7,8)9)29-37(41)38-30-34(46(10,11)12)20-24-42(38)48/h17-24,27-30H,1-14H3
InChIKey ANLKQCALWBLUHE-UHFFFAOYSA-N
Instrument Name Shimadzu CLASS-5000/Shimadzu QP-5050
Ionization Type EI
Literature Reference DOI 10.1002/anie.202105740
Molecular Weight 662.958 g/mol
SMILES c12-c3cc(C(C)(C)C)ccc3C(c1ccc(C(C)(C)C)c2)(OC)C#CC#CC1(c2ccc(C(C)(C)C)cc2-c2cc(C(C)(C)C)ccc12)OC
SPLASH splash10-03di-0000009000-f0dfe40744fdfc4688e5
Source of Spectrum ACI-60-SM3-14
Wiley ID 1882671