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2-[1,3-Bis(ethoxycarbonyl)-6-azulenyl]-4,5-dimethyl-6H-2,3-dihydro-1,2-thiazine 1-oxide
SpectraBase Compound ID 9Eac4uthYzL
InChI InChI=1S/C22H25NO5S/c1-5-27-21(24)19-11-20(22(25)28-6-2)18-10-8-16(7-9-17(18)19)23-12-14(3)15(4)13-29(23)26/h7-11H,5-6,12-13H2,1-4H3
InChIKey TVSYOZBXTQURFG-UHFFFAOYSA-N
Mol Weight 415.5 g/mol
Molecular Formula C22H25NO5S
Exact Mass 415.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1ZJaDBSWJs
Name 2-[1,3-Bis(ethoxycarbonyl)-6-azulenyl]-4,5-dimethyl-6H-2,3-dihydro-1,2-thiazine 1-oxide
Alternate Name(s) 6-(4,5-dimethyl-1-oxo-3,6-dihydrothiazin-2-yl)azulene-1,3-dicarboxylic acid diethyl ester Diethyl 6-(4,5-dimethyl-1-oxo-3,6-dihydrothiazin-2-yl)azulene-1,3-dicarboxylate Diethyl 6-(4,5-dimethyl-1-oxidanylidene-3,6-dihydro-1,2-thiazin-2-yl)azulene-1,3-dicarboxylate
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Formula C22H25NO5S
InChI InChI=1S/C22H25NO5S/c1-5-27-21(24)19-11-20(22(25)28-6-2)18-10-8-16(7-9-17(18)19)23-12-14(3)15(4)13-29(23)26/h7-11H,5-6,12-13H2,1-4H3
InChIKey TVSYOZBXTQURFG-UHFFFAOYSA-N
Molecular Weight 415.504 g/mol
SMILES c1(N2S(CC(=C(C2)C)C)=O)ccc2c(C(=O)OCC)cc(c2cc1)C(=O)OCC
SPLASH splash10-001i-0049200000-254f74de6aa604613e8e
Source of Spectrum F-59-4657-14
Wiley ID 1678162