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ISOCOUMARIN

View entire compound with spectra: 3 NMR, and 1 MS (GC)

ISOCOUMARIN
SpectraBase Compound ID FTHC6ER4tob
InChI InChI=1S/C9H6O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChIKey IQZZFVDIZRWADY-UHFFFAOYSA-N
Mol Weight 146.14 g/mol
Molecular Formula C9H6O2
Exact Mass 146.036779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6QjHxcZNpEO
Name ISOCOUMARIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H6O2
InChI InChI=1S/C9H6O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H
InChIKey IQZZFVDIZRWADY-UHFFFAOYSA-N
Literature Reference Author R.J.ABRAHAM,A.GHERSI,G.PETRILLO,F.SANCASSAN
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1279(1997)
Literature Reference DOI 10.1039/a700159b
Molecular Weight 146.145 g/mol
Solvent CDCl3
Source File Reference UWRU6215