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(R)-4-Bis(3,5-ditolyl)phosphinothioyl-12-diphenyl-phosphinothioyl[2.2]paracyclophane
SpectraBase Compound ID InOe88DaMtV
InChI InChI=1S/C44H42P2S2/c1-31-23-32(2)26-41(25-31)46(48,42-27-33(3)24-34(4)28-42)44-30-36-16-20-37-19-15-35(17-21-38(44)22-18-36)29-43(37)45(47,39-11-7-5-8-12-39)40-13-9-6-10-14-40/h5-15,18-19,22-30H,16-17,20-21H2,1-4H3
InChIKey JQVQPKKTVYGBGT-UHFFFAOYSA-N
Mol Weight 696.9 g/mol
Molecular Formula C44H42P2S2
Exact Mass 696.220318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsOyz3oHQw2
Name (R)-4-Bis(3,5-ditolyl)phosphinothioyl-12-diphenyl-phosphinothioyl[2.2]paracyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H42P2S2
InChI InChI=1S/C44H42P2S2/c1-31-23-32(2)26-41(25-31)46(48,42-27-33(3)24-34(4)28-42)44-30-36-16-20-37-19-15-35(17-21-38(44)22-18-36)29-43(37)45(47,39-11-7-5-8-12-39)40-13-9-6-10-14-40/h5-15,18-19,22-30H,16-17,20-21H2,1-4H3
InChIKey JQVQPKKTVYGBGT-UHFFFAOYSA-N
Molecular Weight 696.888 g/mol
SMILES c1(P(c2cc(C)cc(c2)C)(c2cc(C)cc(c2)C)=S)c2ccc(c1)CCc1c(P(=S)(c3ccccc3)c3ccccc3)cc(CC2)cc1
SPLASH splash10-00di-0009201000-9f9c60fc77bfabf654ff
Source of Spectrum F4-39-3881-2
Wiley ID 1670028