John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=GO1au5C1Zft SpectraBase Spectrum ID=H7DDbF7BUIq

(accessed ).
[15,28]-Dithiaheptacyclo[35.3.1.1(2,6).1(9,13).1(17,21).1(22,26).1(30,34)]hexatetraconta[1(40),2,4,6(46), 9,11,13(45),17,19,21(44),22,24,26(43)30,32,34(42),37,39]octadecaene
SpectraBase Compound ID GO1au5C1Zft
InChI InChI=1S/C44H40S2/c1-7-33-19-21-35-9-3-15-41(25-35)42-16-4-10-36(26-42)22-20-34-8-2-12-38(24-34)30-46-32-40-14-6-18-44(28-40)43-17-5-13-39(27-43)31-45-29-37(11-1)23-33/h1-18,23-28H,19-22,29-32H2
InChIKey FJNQMQDDHJXGNV-UHFFFAOYSA-N
Mol Weight 632.9 g/mol
Molecular Formula C44H40S2
Exact Mass 632.257145 g/mol

Mass Spectrum (MS)

Mass Spectrum (MS)

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SpectraBase Spectrum ID H7DDbF7BUIq
Name [15,28]-Dithiaheptacyclo[35.3.1.1(2,6).1(9,13).1(17,21).1(22,26).1(30,34)]hexatetraconta[1(40),2,4,6(46), 9,11,13(45),17,19,21(44),22,24,26(43)30,32,34(42),37,39]octadecaene
Classification Benzenoids
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Formula C44H40S2
InChI InChI=1S/C44H40S2/c1-7-33-19-21-35-9-3-15-41(25-35)42-16-4-10-36(26-42)22-20-34-8-2-12-38(24-34)30-46-32-40-14-6-18-44(28-40)43-17-5-13-39(27-43)31-45-29-37(11-1)23-33/h1-18,23-28H,19-22,29-32H2
InChIKey FJNQMQDDHJXGNV-UHFFFAOYSA-N
SPLASH splash10-001i-0411309000-0eaafe74f82169701e01
Source of Spectrum JF-342-650-30 (DOI: 10.1002_1521-3897(200009)342_7_642)
SpectraBase Batch ID 8EK5f8X98At