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2-oxo-2-{tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl}ethyl pyrrolidine-1-carbodithioate
SpectraBase Compound ID 2ukri0QTuk4
InChI InChI=1S/C23H25NOS2/c25-22(16-27-23(26)24-13-1-2-14-24)21-15-19-8-7-17-3-5-18(6-4-17)9-11-20(21)12-10-19/h3-6,10,12,15H,1-2,7-9,11,13-14,16H2
InChIKey XWLQMZHFNLHKLA-UHFFFAOYSA-N
Mol Weight 395.58 g/mol
Molecular Formula C23H25NOS2
Exact Mass 395.137757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmBLy3aF06O
Name 2-oxo-2-{tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl}ethyl pyrrolidine-1-carbodithioate
Appearance Colorless solid
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Formula C23H25NOS2
InChI InChI=1S/C23H25NOS2/c25-22(16-27-23(26)24-13-1-2-14-24)21-15-19-8-7-17-3-5-18(6-4-17)9-11-20(21)12-10-19/h3-6,10,12,15H,1-2,7-9,11,13-14,16H2
InChIKey XWLQMZHFNLHKLA-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90X
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.11.207
Molecular Weight 395.579 g/mol
SMILES c12c(cc(cc2)CCc2ccc(cc2)CC1)C(=O)CSC(N1CCCC1)=S
SPLASH splash10-03di-0901000000-515b833ea07854fba2e1
Source of Spectrum BJO-11-SM4-4b
Wiley ID 1851609