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Ethyl 3,4-dihydro-4-methyl-3-oxo-4'-vinyl-1,4-benzothiazin-2-spiro-1'-cyclopenrane-3'-carboxylate isomer
SpectraBase Compound ID 1RVJ7mbwmmt
InChI InChI=1S/C18H21NO3S/c1-4-12-10-18(11-13(12)16(20)22-5-2)17(21)19(3)14-8-6-7-9-15(14)23-18/h4,6-9,12-13H,1,5,10-11H2,2-3H3
InChIKey TWRAYKGLWDKXHG-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C18H21NO3S
Exact Mass 331.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kx50ZSvUBe
Name Ethyl 3,4-dihydro-4-methyl-3-oxo-4'-vinyl-1,4-benzothiazin-2-spiro-1'-cyclopenrane-3'-carboxylate isomer
Alternate Name(s) Ethyl 3,4-dihydro-4-methyl-3-oxo-4'-vinyl-1,4-benzothiazin-2-spiro-1'-cyclopenrane-3'-carboxylate 2'-ethenyl-4-methyl-3-oxo-1'-spiro[1,4-benzothiazine-2,4'-cyclopentane]carboxylic acid ethyl ester Ethyl 2'-ethenyl-4-methyl-3-oxospiro[1,4-benzothiazine-2,4'-cyclopentane]-1'-carboxylate Ethyl 4-methyl-3-oxo-2'-vinyl-spiro[1,4-benzothiazine-2,4'-cyclopentane]-1'-carboxylate Ethyl 2'-ethenyl-4-methyl-3-oxidanylidene-spiro[1,4-benzothiazine-2,4'-cyclopentane]-1'-carboxylate
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Formula C18H21NO3S
InChI InChI=1S/C18H21NO3S/c1-4-12-10-18(11-13(12)16(20)22-5-2)17(21)19(3)14-8-6-7-9-15(14)23-18/h4,6-9,12-13H,1,5,10-11H2,2-3H3
InChIKey TWRAYKGLWDKXHG-UHFFFAOYSA-N
Molecular Weight 331.430 g/mol
SMILES C12(C(N(C)c3c(S2)cccc3)=O)CC(C(=O)OCC)C(C1)C=C
SPLASH splash10-001i-0029000000-c56e933240fb2fdf212d
Source of Spectrum E2-46-916-5
Wiley ID 1554394