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3-(2-bromo-4-methyl-phenoxy)propionitrile

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3-(2-bromo-4-methyl-phenoxy)propionitrile
SpectraBase Compound ID 9yoO9q2w93b
InChI InChI=1S/C10H10BrNO/c1-8-3-4-10(9(11)7-8)13-6-2-5-12/h3-4,7H,2,6H2,1H3
InChIKey ZMIRVQCWIPDYHN-UHFFFAOYSA-N
Mol Weight 240.1 g/mol
Molecular Formula C10H10BrNO
Exact Mass 238.994577 g/mol

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

17O Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1bGxvpfp0mW
Name 3-(2-bromo-4-methyl-phenoxy)propionitrile
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H10BrNO
InChI InChI=1S/C10H10BrNO/c1-8-3-4-10(9(11)7-8)13-6-2-5-12/h3-4,7H,2,6H2,1H3
InChIKey ZMIRVQCWIPDYHN-UHFFFAOYSA-N
Literature Reference Author J.L.JIOS,H.DUDDECK,G.P.ROMANELLI,J.C.AUTINO
Literature Reference Citation MAGN.RES.CHEM.,41,739(2003)
Literature Reference DOI 10.1002/mrc.1244
Solvent TOLUENE
Source File Reference UWMZ21840