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4-(1-CHLOROETHYL)-BENZOIC-ACID

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4-(1-CHLOROETHYL)-BENZOIC-ACID
SpectraBase Compound ID LiwMOUzssdw
InChI InChI=1S/C9H9ClO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6H,1H3,(H,11,12)
InChIKey ZHULDDBTDXXTMN-UHFFFAOYSA-N
Mol Weight 184.62 g/mol
Molecular Formula C9H9ClO2
Exact Mass 184.029107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Rut1MXtIxv
Name 4-(1-CHLOROETHYL)-BENZOIC-ACID
Compound Number 3I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9ClO2
InChI InChI=1S/C9H9ClO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6H,1H3,(H,11,12)
InChIKey ZHULDDBTDXXTMN-UHFFFAOYSA-N
Literature Reference Author Y.ONISHI,D.OGAWA,M.YASUDA,A.BABA
Literature Reference Citation J.AM.CHEM.SOC.,124,13690(2002)
Literature Reference DOI 10.1021/ja0283246
Molecular Weight 184.622 g/mol
Sample ID 48341
Solvent DMSO-D6