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1,3,5,7-TETRAKIS-[4-(THIOPHEN-3'-YL)-PHENYL]-ADAMANTANE

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1,3,5,7-TETRAKIS-[4-(THIOPHEN-3'-YL)-PHENYL]-ADAMANTANE
SpectraBase Compound ID 7jt00JqVwpn
InChI InChI=1S/C50H40S4/c1-9-43(10-2-35(1)39-17-21-51-25-39)47-29-48(44-11-3-36(4-12-44)40-18-22-52-26-40)32-49(30-47,45-13-5-37(6-14-45)41-19-23-53-27-41)34-50(31-47,33-48)46-15-7-38(8-16-46)42-20-24-54-28-42/h1-28H,29-34H2/t47-,48+,49-,50+
InChIKey KAMYAHZIQJHNDN-LWBFQTTGSA-N
Mol Weight 769.1 g/mol
Molecular Formula C50H40S4
Exact Mass 768.201286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANxbj9q5dGY
Name 1,3,5,7-TETRAKIS-[4-(THIOPHEN-3'-YL)-PHENYL]-ADAMANTANE
Compound Number 3I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H40S4
InChI InChI=1S/C50H40S4/c1-9-43(10-2-35(1)39-17-21-51-25-39)47-29-48(44-11-3-36(4-12-44)40-18-22-52-26-40)32-49(30-47,45-13-5-37(6-14-45)41-19-23-53-27-41)34-50(31-47,33-48)46-15-7-38(8-16-46)42-20-24-54-28-42/h1-28H,29-34H2/t47-,48+,49-,50+
InChIKey KAMYAHZIQJHNDN-LWBFQTTGSA-N
Literature Reference Author C.I.SCHILLING,O.PLIETZSCH,M.NIEGER,T.MULLER,S.BRAESE
Literature Reference Citation EUR.J.ORG.CHEM.,2011,1743(2011)
Literature Reference DOI 10.1002/ejoc.201001567
Molecular Weight 769.108 g/mol
Solvent CDCl3
Source File Reference UWBT20851