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N-Methyl-7-methoxy-4,7-(vinylene)-1-thioxoperhydroisoindol-3-one
SpectraBase Compound ID DRUQ9kSRANj
InChI InChI=1S/C12H15NO2S/c1-13-10(14)8-7-3-5-12(15-2,6-4-7)9(8)11(13)16/h3,5,7-9H,4,6H2,1-2H3/t7?,8-,9+,12?/m1/s1
InChIKey SUDBCTIKQDWVAF-JUXCKKRKSA-N
Mol Weight 237.32 g/mol
Molecular Formula C12H15NO2S
Exact Mass 237.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6El6Es6AyUN
Name N-Methyl-7-methoxy-4,7-(vinylene)-1-thioxoperhydroisoindol-3-one
Alternate Name(s) (2R,6R)-7-Methoxy-4-methyl-5-thioxo-4-aza-tricyclo[5.2.2.0*2,6*]undec-8-en-3-one 7-Methoxy-4-methyl-5-thioxo-4-azatricyclo[5.2.2.0(2,6)]undec-8-en-3-one
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Formula C12H15NO2S
InChI InChI=1S/C12H15NO2S/c1-13-10(14)8-7-3-5-12(15-2,6-4-7)9(8)11(13)16/h3,5,7-9H,4,6H2,1-2H3/t7?,8-,9+,12?/m1/s1
InChIKey SUDBCTIKQDWVAF-JUXCKKRKSA-N
Molecular Weight 237.317 g/mol
SMILES C1(N(C(=O)[C@]2([C@@]1(C1(C=CC2CC1)OC)[H])[H])C)=S
SPLASH splash10-03fr-0940000000-a18268969058cf2f56dc
Source of Spectrum J-57-3990-11
Wiley ID 1239417