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7-Chloranyl-5-oxidanylidene-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylic acid
SpectraBase Compound ID CImbQqKt9hK
InChI InChI=1S/C12H6ClNO4S/c13-5-1-2-8-6(3-5)10(15)14-7-4-9(11(16)17)19-12(7)18-8/h1-4H,(H,14,15)(H,16,17)
InChIKey HMRBUPMRHPVELF-UHFFFAOYSA-N
Mol Weight 295.7 g/mol
Molecular Formula C12H6ClNO4S
Exact Mass 294.970607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0hMf0kbyC0
Name 7-Chloranyl-5-oxidanylidene-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylic acid
Alternate Name(s) 7-Chloro-5-keto-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylic acid 7-Chloro-5-oxo-4H-thieno[2,3-b][1,4]benzoxazepine-2-carboxylic acid
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Formula C12H6ClNO4S
InChI InChI=1S/C12H6ClNO4S/c13-5-1-2-8-6(3-5)10(15)14-7-4-9(11(16)17)19-12(7)18-8/h1-4H,(H,14,15)(H,16,17)
InChIKey HMRBUPMRHPVELF-UHFFFAOYSA-N
Molecular Weight 295.696 g/mol
SMILES N1C(c2c(Oc3c1cc(C(=O)O)s3)ccc(c2)Cl)=O
SPLASH splash10-0f6t-0090000000-b5d779d16def67392d8c
Source of Spectrum Y-31-1058-11
Wiley ID 761697