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1-Methyl-4-phenyl-4-azatricyclo[5.2.1.0(2,6)]deca-3,5,8-trione 8-propylidenedithioacetal isomer

View entire compound with spectra: 1 MS (GC)

1-Methyl-4-phenyl-4-azatricyclo[5.2.1.0(2,6)]deca-3,5,8-trione 8-propylidenedithioacetal isomer
SpectraBase Compound ID 5WMQshKSeYY
InChI InChI=1S/C19H21NO2S2/c1-18-10-13(19(11-18)23-8-5-9-24-19)14-15(18)17(22)20(16(14)21)12-6-3-2-4-7-12/h2-4,6-7,13-15H,5,8-11H2,1H3/t13-,14+,15?,18-/m0/s1
InChIKey CSOXGLZVLWLRQU-DPXCBNATSA-N
Mol Weight 359.5 g/mol
Molecular Formula C19H21NO2S2
Exact Mass 359.101371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gOtlGeY7vX
Name 1-Methyl-4-phenyl-4-azatricyclo[5.2.1.0(2,6)]deca-3,5,8-trione 8-propylidenedithioacetal isomer
Alternate Name(s) 1'-methyl-4'-phenyl-4'-azaspiro[1,3-dithiane-2,8'-tricyclo[5.2.1.0(2,6)]decane]-3',5'-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21NO2S2
InChI InChI=1S/C19H21NO2S2/c1-18-10-13(19(11-18)23-8-5-9-24-19)14-15(18)17(22)20(16(14)21)12-6-3-2-4-7-12/h2-4,6-7,13-15H,5,8-11H2,1H3/t13-,14+,15?,18-/m0/s1
InChIKey CSOXGLZVLWLRQU-DPXCBNATSA-N
Molecular Weight 359.502 g/mol
SMILES C1(N(C([C@@]2([C@]3(C4(C[C@@](C12)(C3)C)SCCCS4)[H])[H])=O)c1ccccc1)=O
SPLASH splash10-06ri-0839000000-c94da04d5e4a2e48f5c8
Source of Spectrum F-52-9987-20
Wiley ID 797834