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(9E)-(+-)-[9-Ethylidene-3-methyl-7-oxo-6,6-(trimethylenedithio)bicyclo[3.3.1]non-3-en-1-yl]carbamic acid methyl ester
SpectraBase Compound ID 3QCwb5vh7k6
InChI InChI=1S/C17H23NO3S2/c1-4-12-13-8-11(2)9-16(12,18-15(20)21-3)10-14(19)17(13)22-6-5-7-23-17/h4,8,13H,5-7,9-10H2,1-3H3,(H,18,20)/b12-4+/t13-,16+/m1/s1
InChIKey JLZXLNSBDBKWTH-ZJLOCQMSSA-N
Mol Weight 353.5 g/mol
Molecular Formula C17H23NO3S2
Exact Mass 353.111936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyjqEkDGywm
Name (9E)-(+-)-[9-Ethylidene-3-methyl-7-oxo-6,6-(trimethylenedithio)bicyclo[3.3.1]non-3-en-1-yl]carbamic acid methyl ester
Alternate Name(s) methyl N-[(9E)-9-ethylidene-7-methyl-3-oxospiro[bicyclo[3.3.1]nonane-2,2'-[1,3]dithian]-7-en-5-yl]carbamate
Comments Less than 3 mono-isotopic peaks
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Formula C17H23NO3S2
InChI InChI=1S/C17H23NO3S2/c1-4-12-13-8-11(2)9-16(12,18-15(20)21-3)10-14(19)17(13)22-6-5-7-23-17/h4,8,13H,5-7,9-10H2,1-3H3,(H,18,20)/b12-4+/t13-,16+/m1/s1
InChIKey JLZXLNSBDBKWTH-ZJLOCQMSSA-N
Molecular Weight 353.495 g/mol
SMILES N([C@]12CC(C3([C@@](\C2=C\C)(C=C(C)C1)[H])SCCCS3)=O)C(=O)OC
SPLASH splash10-03di-0900000000-bb07ef0ca4b1e88e8772
Source of Spectrum KC-0-1293-3
Wiley ID 785933