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[2.0.2.0.2.0]-(2,5)-THIOPHAN-1,11,21-TRIENE

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[2.0.2.0.2.0]-(2,5)-THIOPHAN-1,11,21-TRIENE
SpectraBase Compound ID 3Ztl2hqraiz
InChI InChI=1S/C30H18S6/c1-2-20-8-14-27(32-20)28-16-10-22(34-28)5-6-24-12-18-30(36-24)29-17-11-23(35-29)4-3-21-9-15-26(33-21)25-13-7-19(1)31-25/h1-18H/b2-1-,4-3-,6-5-,19-1+,20-2+,21-3+,22-5+,23-4+,24-6+,26-25-,28-27-,30-29-
InChIKey MCMDOYOTAWVHPZ-AZHMMLJXSA-N
Mol Weight 570.8 g/mol
Molecular Formula C30H18S6
Exact Mass 569.973278 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ShUVGRUvL4
Name [2.0.2.0.2.0]-(2,5)-THIOPHAN-1,11,21-TRIENE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H18S6
InChI InChI=1S/C30H18S6/c1-2-20-8-14-27(32-20)28-16-10-22(34-28)5-6-24-12-18-30(36-24)29-17-11-23(35-29)4-3-21-9-15-26(33-21)25-13-7-19(1)31-25/h1-18H/b2-1-,4-3-,6-5-,19-1+,20-2+,21-3+,22-5+,23-4+,24-6+,26-25-,28-27-,30-29-
InChIKey MCMDOYOTAWVHPZ-AZHMMLJXSA-N
Literature Reference Author F.ELLINGER,A.GIEREN,T.HUEBNER,J.LEX,F.LUCCHESINI,A.MERZ,R.NE IDLEIN,J.SALBECK
Literature Reference Citation MH.CHEM.,124,931(1993)
Literature Reference DOI 10.1007/BF00816416
Molecular Weight 570.833 g/mol
Solvent CDCl3
Source File Reference UWPB3