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(3'aS)-N-Methyl-S-phenyl-S-[{tetrahydro-5'',5''-dimethylspiro[1,3-dioxan-2,2'-(1'H)-pentalen]-5(3'H)-ylidene}methyl]sulfoximine

View entire compound with spectra: 1 MS (GC)

(3'aS)-N-Methyl-S-phenyl-S-[{tetrahydro-5'',5''-dimethylspiro[1,3-dioxan-2,2'-(1'H)-pentalen]-5(3'H)-ylidene}methyl]sulfoximine
SpectraBase Compound ID GSzAecFAWyb
InChI InChI=1S/C21H29NO3S/c1-20(2)9-17-11-21(12-18(17)10-20)24-13-16(14-25-21)15-26(23,22-3)19-7-5-4-6-8-19/h4-8,15,17-18H,9-14H2,1-3H3/b16-15-/t17-,18?,21?,26?/m0/s1
InChIKey PGULPHQRAOTWDP-YKPRGXACSA-N
Mol Weight 375.53 g/mol
Molecular Formula C21H29NO3S
Exact Mass 375.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MYmT8eU6ab
Name (3'aS)-N-Methyl-S-phenyl-S-[{tetrahydro-5'',5''-dimethylspiro[1,3-dioxan-2,2'-(1'H)-pentalen]-5(3'H)-ylidene}methyl]sulfoximine
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Formula C21H29NO3S
InChI InChI=1S/C21H29NO3S/c1-20(2)9-17-11-21(12-18(17)10-20)24-13-16(14-25-21)15-26(23,22-3)19-7-5-4-6-8-19/h4-8,15,17-18H,9-14H2,1-3H3/b16-15-/t17-,18?,21?,26?/m0/s1
InChIKey PGULPHQRAOTWDP-YKPRGXACSA-N
Molecular Weight 375.527 g/mol
SMILES C1(C)(C)C[C@]2(CC3(OCC(=CS(=NC)(=O)c4ccccc4)CO3)CC2C1)[H]
SPLASH splash10-0596-5970000000-c4aa3213e7646e6a3095
Source of Spectrum U1-1998-1327-5
Synonyms {[(3'aS)-5',5'-dimethyl-hexahydro-1'H-spiro[1,3-dioxane-2,2'-pentalene]-5-ylidenemethane](benzene)sulfinylidene}(methyl)amine
Wiley ID 751303