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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 morpholine-4-carbodithioate
SpectraBase Compound ID LnpVXDL3cYT
InChI InChI=1S/C23H25NO2S2/c25-22(16-28-23(27)24-11-13-26-14-12-24)21-15-19-6-5-17-1-3-18(4-2-17)7-9-20(21)10-8-19/h1-4,8,10,15H,5-7,9,11-14,16H2
InChIKey PQVQIPSFFSZLMK-UHFFFAOYSA-N
Mol Weight 411.58 g/mol
Molecular Formula C23H25NO2S2
Exact Mass 411.132671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HoGXyRXeWHM
Name 2-oxo-2-{tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl}ethyl morpholine-4-carbodithioate
Appearance White solid
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Formula C23H25NO2S2
InChI InChI=1S/C23H25NO2S2/c25-22(16-28-23(27)24-11-13-26-14-12-24)21-15-19-6-5-17-1-3-18(4-2-17)7-9-20(21)10-8-19/h1-4,8,10,15H,5-7,9,11-14,16H2
InChIKey PQVQIPSFFSZLMK-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90X
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.11.207
Molecular Weight 411.578 g/mol
SMILES c12c(cc(cc2)CCc2ccc(cc2)CC1)C(=O)CSC(N1CCOCC1)=S
SPLASH splash10-001i-2900100000-659a46ec9e7300e0e41b
Source of Spectrum BJO-11-SM4-4c
Wiley ID 1851610