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XTFAKZALUUYKJS-UHFFFAOYSA-N
SpectraBase Compound ID CGYHp6bG2TZ
InChI InChI=1S/C10H10FNO/c11-5-7-6-12-10(13)9-4-2-1-3-8(7)9/h1-4,7H,5-6H2,(H,12,13)
InChIKey XTFAKZALUUYKJS-UHFFFAOYSA-N
Mol Weight 179.19 g/mol
Molecular Formula C10H10FNO
Exact Mass 179.074642 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1msqnj5sXEb
Name (+/-)-4-FLUOROMETHYL-3,4-DIHYDRO-ISOQUINOLIN-1-2-H-ONE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H10FNO
InChI InChI=1S/C10H10FNO/c11-5-7-6-12-10(13)9-4-2-1-3-8(7)9/h1-4,7H,5-6H2,(H,12,13)
InChIKey XTFAKZALUUYKJS-UHFFFAOYSA-N
Literature Reference Author G.L.GRUNEWALD,T.M.CALDWELL,Q.LI,K.R.CRISCIONE
Literature Reference Citation J.MED.CHEM.,44,2849(2001)
Literature Reference DOI 10.1021/jm010147g
Molecular Weight 179.194 g/mol
Sample ID 45055
Solvent CDCl3