3-Phenylbutanoic acid methyl ester

CAS 3461-39-0 MFCD00083018

化学结构图

3461-39-0
SMILES: COC(=O)CC(C)c1ccccc1

化学属性

Mol. FormulaC11H14O2
Mol. Weight178.23

别名和识别编码

Chemical Name3-Phenylbutanoic acid methyl ester
Synonym (R,S)-3-Phenyl-butyric acid methyl ester R,S-3-Phenyl-butyric acid methyl ester Benzenepropanoic acid, β-methyl-, methyl ester
InChIKeyDSWKGCIHFICHAC-UHFFFAOYSA-N
LabNetwork Molecule IDLN01066563
PubChem Substance ID137945
InChIInChI=1S/C11H14O2/c1-9(8-11(12)13-2)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; racemate; 1fragment

相关文献及参考

  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 pages. With CD-ROM. Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), and carbon-13 (subvol. D) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

系列性分类

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