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3-[(Glycinyl)methylene]-thiochroman-2,4-dione
SpectraBase Compound ID HhQo2cAAgZ3
InChI InChI=1S/C12H9NO4S/c14-10(15)6-13-5-8-11(16)7-3-1-2-4-9(7)18-12(8)17/h1-5,13H,6H2,(H,14,15)/b8-5-
InChIKey STDOANGTNKSRJJ-YVMONPNESA-N
Mol Weight 263.27 g/mol
Molecular Formula C12H9NO4S
Exact Mass 263.025229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NgRWNNrwbK
Name 3-[(Glycinyl)methylene]-thiochroman-2,4-dione
Alternate Name(s) {[(Z)-(2,4-dioxo-2H-1-benzothiopyran-3(4H)-ylidene)methyl]amino}acetic acid
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Formula C12H9NO4S
InChI InChI=1S/C12H9NO4S/c14-10(15)6-13-5-8-11(16)7-3-1-2-4-9(7)18-12(8)17/h1-5,13H,6H2,(H,14,15)/b8-5-
InChIKey STDOANGTNKSRJJ-YVMONPNESA-N
Molecular Weight 263.267 g/mol
SMILES N(\C=C/1C(Sc2c(C1=O)cccc2)=O)CC(=O)O
SPLASH splash10-0ik9-0490000000-7cd60b0222e6732828d4
Source of Spectrum MZ-34-2057-14
Wiley ID 1582320