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2,3,6,7,10,11-Hexakis(ethylsulfanyl)-4b,8b,12b,12d-tetramethyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
SpectraBase Compound ID 6bXDKAazxku
InChI InChI=1S/C38H48S6/c1-11-39-29-17-23-24(18-30(29)40-12-2)36(8)27-21-33(43-15-5)34(44-16-6)22-28(27)37(9)26-20-32(42-14-4)31(41-13-3)19-25(26)35(23,7)38(36,37)10/h17-22H,11-16H2,1-10H3/t35-,36+,37-,38+
InChIKey HRGBQTXMJNRTIY-MYXYSOIMSA-N
Mol Weight 697.2 g/mol
Molecular Formula C38H48S6
Exact Mass 696.208029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSI0v1SqEz5
Name 2,3,6,7,10,11-Hexakis(ethylsulfanyl)-4b,8b,12b,12d-tetramethyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
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Formula C38H48S6
InChI InChI=1S/C38H48S6/c1-11-39-29-17-23-24(18-30(29)40-12-2)36(8)27-21-33(43-15-5)34(44-16-6)22-28(27)37(9)26-20-32(42-14-4)31(41-13-3)19-25(26)35(23,7)38(36,37)10/h17-22H,11-16H2,1-10H3/t35-,36+,37-,38+
InChIKey HRGBQTXMJNRTIY-MYXYSOIMSA-N
Molecular Weight 697.162 g/mol
SMILES C12([C@]3(c4cc(SCC)c(cc4[C@@]2(c2cc(SCC)c(cc2[C@@]1(c1cc(SCC)c(cc31)SCC)C)SCC)C)SCC)C)C
SPLASH splash10-000t-0000009000-63154a3afe803f838344
Source of Spectrum KC-57-3610-63
Wiley ID 1623896