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3-(4-Methoxyphenyl)-6-triptycyl-1,2,4,5,3-Tetrathiaphosphorinane-3-thione
SpectraBase Compound ID 2Gi4sXf2jpy
InChI InChI=1S/C28H21OPS5/c1-29-17-13-15-18(16-14-17)30(31)34-32-28(33-35-30)24-12-6-11-23-25-19-7-2-4-9-21(19)26(27(23)24)22-10-5-3-8-20(22)25/h2-16,25-26,28H,1H3
InChIKey OQEFLXZYDBDIIP-UHFFFAOYSA-N
Mol Weight 564.7 g/mol
Molecular Formula C28H21OPS5
Exact Mass 563.993358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vK8WFm1O8e
Name 3-(4-Methoxyphenyl)-6-triptycyl-1,2,4,5,3-Tetrathiaphosphorinane-3-thione
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Formula C28H21OPS5
InChI InChI=1S/C28H21OPS5/c1-29-17-13-15-18(16-14-17)30(31)34-32-28(33-35-30)24-12-6-11-23-25-19-7-2-4-9-21(19)26(27(23)24)22-10-5-3-8-20(22)25/h2-16,25-26,28H,1H3
InChIKey OQEFLXZYDBDIIP-UHFFFAOYSA-N
Molecular Weight 564.749 g/mol
SMILES C1(SSP(SS1)(c1ccc(cc1)OC)=S)c1c2C3c4ccccc4C(c2ccc1)c1ccccc31
SPLASH splash10-0uxs-0090000000-2d173e010005ff84b73b
Source of Spectrum KC-61-6698-16
Synonyms 3-(4-Methoxyphenyl)-6-pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaen-3-yl-1,2,4,5,3-tetrathiaphosphorinane 3-sulfide Methyl 4-(6-pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icosa-2,4,6,9,11,13,15,17,19-nonaen-3-yl-3-sulfido-1,2,4,5,3-tetrathiaphosphorinan-3-yl)phenyl ether
Wiley ID 1629752