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5,7,23,25-tetrakis( Ethoxycarbonyl)-2,11,20,29-tetrathia[3.3](1,3)(1,3)-[3.3](4,6)(1,3)benzeno<3>phane
SpectraBase Compound ID CndccXFLHPC
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(16-48-20-28)26-10-24(23)17-49-21-29-12-30(22-50-18-26)34(38(42)46-8-4)14-33(29)37(41)45-7-3/h9-14H,5-8,15-22H2,1-4H3
InChIKey UJBSYZCJXRSGLR-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 lLJEC5u8FN
Name 5,7,23,25-tetrakis( Ethoxycarbonyl)-2,11,20,29-tetrathia[3.3](1,3)(1,3)-[3.3](4,6)(1,3)benzeno<3>phane
Alternate Name(s) Tetraethyl 4,12,17,25-tetrathiapentacyclo[13.11.1.1(2,14).1(6,10).1(19,23)]triaconta-1(27),2(29),6(30),7,9,14,19(28),20,22-nonaene-7,9,20,22-tetracarboxylate
CAS Registry Number 140410-10-2
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(16-48-20-28)26-10-24(23)17-49-21-29-12-30(22-50-18-26)34(38(42)46-8-4)14-33(29)37(41)45-7-3/h9-14H,5-8,15-22H2,1-4H3
InChIKey UJBSYZCJXRSGLR-UHFFFAOYSA-N
Molecular Weight 754.986 g/mol
SMILES c1(cc(C(=O)OCC)c2cc1CSCc1c3cc(c(c1)CSC2)CSCc1c(C(=O)OCC)cc(c(CSC3)c1)C(=O)OCC)C(=O)OCC
SPLASH splash10-0pi0-0000200900-55157e44fc4ab9b03a60
Source of Spectrum K-125-1885-15
Wiley ID 1416406