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Dimethyl 6-cyano-2,3-dihydro-1,1,3,3-tetramethyl-4'-oxo-spiro[1H-indene-2,2'-(1,3)thiazepane]-5',6'-dicarboxylate
SpectraBase Compound ID JGqASVBXdSk
InChI InChI=1S/C22H26N2O5S/c1-20(2)14-8-7-12(10-23)9-15(14)21(3,4)22(20)24-17(25)16(19(27)29-6)13(11-30-22)18(26)28-5/h7-9,13,16H,11H2,1-6H3,(H,24,25)
InChIKey USLISNHQYCVCCU-UHFFFAOYSA-N
Mol Weight 430.52 g/mol
Molecular Formula C22H26N2O5S
Exact Mass 430.156243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ebk0Q0pkWB
Name Dimethyl 6-cyano-2,3-dihydro-1,1,3,3-tetramethyl-4'-oxo-spiro[1H-indene-2,2'-(1,3)thiazepane]-5',6'-dicarboxylate
Alternate Name(s) 5',6'-dimethyl 6-cyano-1,1,3,3-tetramethyl-4'-oxo-1,3-dihydrospiro[indene-2,2'-[1,3]thiazepane]-5',6'-dicarboxylate
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Formula C22H26N2O5S
InChI InChI=1S/C22H26N2O5S/c1-20(2)14-8-7-12(10-23)9-15(14)21(3,4)22(20)24-17(25)16(19(27)29-6)13(11-30-22)18(26)28-5/h7-9,13,16H,11H2,1-6H3,(H,24,25)
InChIKey USLISNHQYCVCCU-UHFFFAOYSA-N
Molecular Weight 430.519 g/mol
SMILES N1C(C(C(CSC11C(c2c(C1(C)C)ccc(c2)C#N)(C)C)C(=O)OC)C(=O)OC)=O
SPLASH splash10-00di-0904000000-0134e4dea1354a00b3f2
Source of Spectrum H-85-1542-22
Wiley ID 1524268