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1,3-bis{[4',5'-bis(Methoxycarbonyl)-1',3'-dithiafulven-2'-yl]methyl}benzene
SpectraBase Compound ID 5XHnUcH2YiY
InChI InChI=1S/C22H18O8S4/c1-27-19(23)15-16(20(24)28-2)32-13(31-15)9-11-6-5-7-12(8-11)10-14-33-17(21(25)29-3)18(34-14)22(26)30-4/h5-10H,1-4H3
InChIKey WBSQJAFBWMJSIJ-UHFFFAOYSA-N
Mol Weight 538.6 g/mol
Molecular Formula C22H18O8S4
Exact Mass 537.988452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3cCWphroVEO
Name 1,3-bis{[4',5'-bis(Methoxycarbonyl)-1',3'-dithiafulven-2'-yl]methyl}benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H18O8S4
InChI InChI=1S/C22H18O8S4/c1-27-19(23)15-16(20(24)28-2)32-13(31-15)9-11-6-5-7-12(8-11)10-14-33-17(21(25)29-3)18(34-14)22(26)30-4/h5-10H,1-4H3
InChIKey WBSQJAFBWMJSIJ-UHFFFAOYSA-N
Molecular Weight 538.618 g/mol
SMILES C1(=C(SC(S1)=Cc1cc(C=C2SC(C(=O)OC)=C(S2)C(=O)OC)ccc1)C(=O)OC)C(=O)OC
SPLASH splash10-000i-0100090000-c1a276ed32ba161e4378
Source of Spectrum O-29-571-2
Wiley ID 1404264