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3'-Chloro-3,4-dihydro-4-methyl-3-oxo-4'-vinyl-1,4-benzothiazine-2-spiro-1'-cyclopentane-3'-carbonitrile isomer
SpectraBase Compound ID IA0QRpuIPYl
InChI InChI=1S/C16H15ClN2OS/c1-3-11-8-16(9-15(11,17)10-18)14(20)19(2)12-6-4-5-7-13(12)21-16/h3-7,11H,1,8-9H2,2H3
InChIKey YDEMQDOWZIPGMM-UHFFFAOYSA-N
Mol Weight 318.82 g/mol
Molecular Formula C16H15ClN2OS
Exact Mass 318.059362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eNgQWcfMk8
Name 3'-Chloro-3,4-dihydro-4-methyl-3-oxo-4'-vinyl-1,4-benzothiazine-2-spiro-1'-cyclopentane-3'-carbonitrile isomer
Alternate Name(s) 3'-Chloro-3,4-dihydro-4-methyl-3-oxo-4'-vinyl-1,4-benzothiazine-2-spiro-1'-cyclopentane-3'-carbonitrile 1'-chloro-2'-ethenyl-4-methyl-3-oxo-1'-spiro[1,4-benzothiazine-2,4'-cyclopentane]carbonitrile 1'-chloro-2'-ethenyl-4-methyl-3-oxospiro[1,4-benzothiazine-2,4'-cyclopentane]-1'-carbonitrile 1'-chloro-4-methyl-3-oxo-2'-vinyl-spiro[1,4-benzothiazine-2,4'-cyclopentane]-1'-carbonitrile 1'-chloranyl-2'-ethenyl-4-methyl-3-oxidanylidene-spiro[1,4-benzothiazine-2,4'-cyclopentane]-1'-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C16H15ClN2OS
InChI InChI=1S/C16H15ClN2OS/c1-3-11-8-16(9-15(11,17)10-18)14(20)19(2)12-6-4-5-7-13(12)21-16/h3-7,11H,1,8-9H2,2H3
InChIKey YDEMQDOWZIPGMM-UHFFFAOYSA-N
Molecular Weight 318.822 g/mol
SMILES C12(C(N(C)c3c(S2)cccc3)=O)CC(C#N)(Cl)C(C1)C=C
SPLASH splash10-00lr-0098000000-6c681f4b6b9e46c26d34
Source of Spectrum E2-46-916-5
Wiley ID 1554493