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5,5',6,,6',7,7'-Hexadeuteriroindigotin
SpectraBase Compound ID 6THRlCNmSbk
InChI InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+/i1D,2D,3D,4D,7D,8D
InChIKey COHYTHOBJLSHDF-UBGKIPSRSA-N
Mol Weight 268.3 g/mol
Molecular Formula C16H4D6N2O2
Exact Mass 268.111888 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88QkFVKtgVG
Name 5,5',6,,6',7,7'-Hexadeuteriroindigotin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H4D6N2O2
InChI InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H/b14-13+/i1D,2D,3D,4D,7D,8D
InChIKey COHYTHOBJLSHDF-UBGKIPSRSA-N
Molecular Weight 268.305 g/mol
SMILES N1\C(=C\2C(c3cc(c(c(c3N2)[D])[D])[D])=O)C(c2cc([D])c(c(c12)[D])[D])=O
SPLASH splash10-014i-0190000000-36124e1fd08ae4ffc4c7
Source of Spectrum H-83-2891-5
Synonyms 2-[1',3'-Dihydro-3'-oxo-2H-(5,6,7-D3)-indol-2'-ylidene]-1,2-dihydro-3H-(5,6,7-D3)-indol-3-one
Wiley ID 847315