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5,7,23,25-tetrakis( Acetoxymethyl)-2,11,20,29-tetrathia[3.3](1,3)(1,2)-[3.3](4,5)(1,3)benzeno<3>phane
SpectraBase Compound ID 2YPmnkyppvf
InChI InChI=1S/C38H42O8S4/c1-5-43-35(39)31-13-32(36(40)44-6-2)28-11-27(31)19-47-15-23-9-25-17-49-21-29-12-30(22-50-18-26(25)10-24(23)16-48-20-28)34(38(42)46-8-4)14-33(29)37(41)45-7-3/h9-14H,5-8,15-22H2,1-4H3
InChIKey DIWNURZYDIDJHL-UHFFFAOYSA-N
Mol Weight 755.0 g/mol
Molecular Formula C38H42O8S4
Exact Mass 754.176253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uIO6JKy3Wj
Name 5,7,23,25-tetrakis( Acetoxymethyl)-2,11,20,29-tetrathia[3.3](1,3)(1,2)-[3.3](4,5)(1,3)benzeno<3>phane
Alternate Name(s) Tetraethyl 3,9,17,23-tetrathiapentacyclo[23.3.1.1(11,15).0(5,21).0(7,19)]triaconta-1(29),5(21),6,11(30),12,14,19,25,27-nonaene-12,14,26,28-tetracarboxylate
CAS Registry Number 140410-05-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H42O8S4
InChI InChI=1S/C38H42O8S4/c1-5-43-35(39)31-13-32(36(40)44-6-2)28-11-27(31)19-47-15-23-9-25-17-49-21-29-12-30(22-50-18-26(25)10-24(23)16-48-20-28)34(38(42)46-8-4)14-33(29)37(41)45-7-3/h9-14H,5-8,15-22H2,1-4H3
InChIKey DIWNURZYDIDJHL-UHFFFAOYSA-N
Molecular Weight 754.986 g/mol
SMILES c1(cc(C(=O)OCC)c2cc1CSCc1c(cc3c(c1)CSCc1c(cc(c(CSC3)c1)C(=O)OCC)C(=O)OCC)CSC2)C(=O)OCC
SPLASH splash10-00di-0000900100-c032d088da2accb2a8b6
Source of Spectrum K-125-1885-16
Wiley ID 1416403