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[2]Paracyclo-1,10-dithia[2]((3,6)-dicarbomethioxy(2,7)tetrathiafulvaleno)phane
SpectraBase Compound ID LjNSQvxEX7l
InChI InChI=1S/C18H14O4S6/c1-21-13(19)11-15-23-7-9-3-5-10(6-4-9)8-24-16-12(14(20)22-2)26-18(28-16)17(25-11)27-15/h3-6H,7-8H2,1-2H3/b18-17-
InChIKey CLDVCZLYYIWDSV-ZCXUNETKSA-N
Mol Weight 486.7 g/mol
Molecular Formula C18H14O4S6
Exact Mass 485.921636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID REZXiEjsPr
Name [2]Paracyclo-1,10-dithia[2]((3,6)-dicarbomethioxy(2,7)tetrathiafulvaleno)phane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14O4S6
InChI InChI=1S/C18H14O4S6/c1-21-13(19)11-15-23-7-9-3-5-10(6-4-9)8-24-16-12(14(20)22-2)26-18(28-16)17(25-11)27-15/h3-6H,7-8H2,1-2H3/b18-17-
InChIKey CLDVCZLYYIWDSV-ZCXUNETKSA-N
Molecular Weight 486.666 g/mol
SMILES C1(=C2SC(=C3SC(C(=O)OC)=C(S3)SCc3ccc(CS2)cc3)S1)C(=O)OC
SPLASH splash10-000i-0064900000-166ff318a3bab0a77481
Source of Spectrum J-62-4941-4
Synonyms Dimethyl 3,6,9,12,19,20-hexathiatetracyclo[12.2.2.1(4,7).1(8,11)]icosa-1(16),4,7,10,14,17-hexaene-5,10-dicarboxylate
Wiley ID 1396359