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7-Chloro-5-sulfanylidene-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylic acid methyl ester
SpectraBase Compound ID 3xIm7uc7ofG
InChI InChI=1S/C13H8ClNO3S2/c1-17-12(16)10-5-8-13(20-10)18-9-3-2-6(14)4-7(9)11(19)15-8/h2-5H,1H3,(H,15,19)
InChIKey JHILTAHRYOUXGE-UHFFFAOYSA-N
Mol Weight 325.78 g/mol
Molecular Formula C13H8ClNO3S2
Exact Mass 324.963413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFiA0BkDm3d
Name 7-Chloro-5-sulfanylidene-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylic acid methyl ester
Alternate Name(s) 7-Chloro-5-thioxo-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylic acid methyl ester Methyl 7-chloranyl-5-sulfanylidene-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylate Methyl 7-chloro-5-sulfanylidene-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylate Methyl 7-chloro-5-thioxo-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylate
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Formula C13H8ClNO3S2
InChI InChI=1S/C13H8ClNO3S2/c1-17-12(16)10-5-8-13(20-10)18-9-3-2-6(14)4-7(9)11(19)15-8/h2-5H,1H3,(H,15,19)
InChIKey JHILTAHRYOUXGE-UHFFFAOYSA-N
Molecular Weight 325.784 g/mol
SMILES N1C(c2c(Oc3c1cc(s3)C(=O)OC)ccc(c2)Cl)=S
SPLASH splash10-00or-0049000000-0e9a490c5f7ba95b3afb
Source of Spectrum Y-31-1057-5
Wiley ID 761702