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GWVMLCQWXVFZCN-UHFFFAOYSA-N

View entire compound with spectra: 7 NMR, 1 FTIR, and 1 MS (GC)

GWVMLCQWXVFZCN-UHFFFAOYSA-N
SpectraBase Compound ID BNqENmY4UxT
InChI InChI=1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h1-4,9H,5-6H2
InChIKey GWVMLCQWXVFZCN-UHFFFAOYSA-N
Mol Weight 119.17 g/mol
Molecular Formula C8H9N
Exact Mass 119.073499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IkbwljLgBeS
Name 1,3-DIHYDROISOINDOL
CAS Registry Number 496-12-8
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9N
InChI InChI=1S/C8H9N/c1-2-4-8-6-9-5-7(8)3-1/h1-4,9H,5-6H2
InChIKey GWVMLCQWXVFZCN-UHFFFAOYSA-N
Literature Reference Author W.ADCOCK,B.D.GUPTA,W.KITCHING
Literature Reference Citation J.ORG.CHEM.,41,1498(1976)
Literature Reference DOI 10.1021/jo00871a003
Molecular Weight 119.166 g/mol
Solvent CDCl3
Source File Reference UNIW9717