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5,7,23,25-tetrakis( Acetoxymethyl)-2,11,20,29-tetrathia[3.3](1,3)(1,3)-[3.3](4,6)(1,3)benzeno<3>phane
SpectraBase Compound ID 2lFFg2Ck3Jl
InChI InChI=1S/C38H42O8S4/c1-23(39)43-11-27-5-28(12-44-24(2)40)32-7-31(27)15-47-19-35-9-37(20-48-16-32)38-10-36(35)21-49-17-33-8-34(18-50-22-38)30(14-46-26(4)42)6-29(33)13-45-25(3)41/h5-10H,11-22H2,1-4H3
InChIKey MYAWTLLAAKSXNO-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 9tazmCSWSfy
Name 5,7,23,25-tetrakis( Acetoxymethyl)-2,11,20,29-tetrathia[3.3](1,3)(1,3)-[3.3](4,6)(1,3)benzeno<3>phane
CAS Registry Number 140410-11-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H42O8S4
InChI InChI=1S/C38H42O8S4/c1-23(39)43-11-27-5-28(12-44-24(2)40)32-7-31(27)15-47-19-35-9-37(20-48-16-32)38-10-36(35)21-49-17-33-8-34(18-50-22-38)30(14-46-26(4)42)6-29(33)13-45-25(3)41/h5-10H,11-22H2,1-4H3
InChIKey MYAWTLLAAKSXNO-UHFFFAOYSA-N
Molecular Weight 754.986 g/mol
SMILES c1(c2cc(c(c1)COC(=O)C)CSCc1c3CSCc4c(COC(=O)C)cc(c(CSCc(c(CSC2)c1)c3)c4)COC(=O)C)COC(=O)C
SPLASH splash10-0ur0-0000800900-9efe99c1f682013e5ffb
Source of Spectrum K-125-1885-16
Synonyms [9,20,22-tris[(acetyloxy)methyl]-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-nonaen-7-yl]methyl acetate
Wiley ID 1416404