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2,3,6,7,10,11-Hexakis(propylsulfanyl)-4b,8b,12b,12d-tetramethyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene

View entire compound with spectra: 1 MS (GC)

2,3,6,7,10,11-Hexakis(propylsulfanyl)-4b,8b,12b,12d-tetramethyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
SpectraBase Compound ID D66yXDc1h17
InChI InChI=1S/C44H60S6/c1-11-17-45-35-23-29-30(24-36(35)46-18-12-2)42(8)33-27-39(49-21-15-5)40(50-22-16-6)28-34(33)43(9)32-26-38(48-20-14-4)37(47-19-13-3)25-31(32)41(29,7)44(42,43)10/h23-28H,11-22H2,1-10H3/t41-,42+,43-,44+
InChIKey ZYYIYUDMMLZJDM-JCIMKDCBSA-N
Mol Weight 781.3 g/mol
Molecular Formula C44H60S6
Exact Mass 780.301929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEZ4hjnIl89
Name 2,3,6,7,10,11-Hexakis(propylsulfanyl)-4b,8b,12b,12d-tetramethyl-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
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Formula C44H60S6
InChI InChI=1S/C44H60S6/c1-11-17-45-35-23-29-30(24-36(35)46-18-12-2)42(8)33-27-39(49-21-15-5)40(50-22-16-6)28-34(33)43(9)32-26-38(48-20-14-4)37(47-19-13-3)25-31(32)41(29,7)44(42,43)10/h23-28H,11-22H2,1-10H3/t41-,42+,43-,44+
InChIKey ZYYIYUDMMLZJDM-JCIMKDCBSA-N
Molecular Weight 781.324 g/mol
SMILES C12([C@]3(c4cc(SCCC)c(cc4[C@@]2(c2cc(SCCC)c(cc2[C@@]1(c1cc(SCCC)c(cc31)SCCC)C)SCCC)C)SCCC)C)C
SPLASH splash10-001i-0000000900-0cbc69b5195bb1ea8f85
Source of Spectrum KC-57-3610-64
Synonyms 4b,8b,12b,12d-tetramethyl-2,3,6,7,10,11-hexakis(propylsulfanyl)-4b,8b,12b,12d-tetrahydrodibenzo[2,3:4,5]pentaleno[1,6-ab]indene
Wiley ID 1623895