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FTNCNIBQOCAFOV-UHFFFAOYSA-N
SpectraBase Compound ID F7yMs1HE2lm
InChI InChI=1S/C9H4N2O2/c10-4-5-1-2-7-6(3-5)8(12)9(13)11-7/h1-3H,(H,11,12,13)
InChIKey FTNCNIBQOCAFOV-UHFFFAOYSA-N
Mol Weight 172.14 g/mol
Molecular Formula C9H4N2O2
Exact Mass 172.027277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQtevqdAlMg
Name 5-Cyano-isatin
CAS Registry Number 61394-92-1
Comments P.G.GASSM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H4N2O2
InChI InChI=1S/C9H4N2O2/c10-4-5-1-2-7-6(3-5)8(12)9(13)11-7/h1-3H,(H,11,12,13)
InChIKey FTNCNIBQOCAFOV-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference P.G. Gassman, B.W. Cue, T.Y.Luh, J. Org. Chem. 42, 1344 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6