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2,15-Dithia-[3.3](1,3)-Adamantanophane
SpectraBase Compound ID 7TEkciNeU00
InChI InChI=1S/C24H36S2/c1-17-3-21-5-18(1)6-22(4-17,11-21)14-26-16-24-9-19-2-20(10-24)8-23(7-19,12-24)15-25-13-21/h17-20H,1-16H2
InChIKey HRDPPQFUXNENHG-UHFFFAOYSA-N
Mol Weight 388.7 g/mol
Molecular Formula C24H36S2
Exact Mass 388.225844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aYGKkDLz8T
Name 2,15-Dithia-[3.3](1,3)-Adamantanophane
Alternate Name(s) 3,13-dithiaheptacyclo[13.5.1.1(1,17).1(5,9).1(5,11).1(7,11).1(15,19)]hexacosane
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Formula C24H36S2
InChI InChI=1S/C24H36S2/c1-17-3-21-5-18(1)6-22(4-17,11-21)14-26-16-24-9-19-2-20(10-24)8-23(7-19,12-24)15-25-13-21/h17-20H,1-16H2
InChIKey HRDPPQFUXNENHG-UHFFFAOYSA-N
Molecular Weight 388.672 g/mol
SMILES C123CC4(CSCC56CC7(CSC3)CC(C6)CC(C7)C5)CC(C2)CC(C1)C4
SPLASH splash10-000i-0209000000-afc786d41c4fc0a61e3c
Source of Spectrum K-127-1155-15
Wiley ID 1364051