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Benzenepropanoic acid, 4-chloro-alpha,alpha-dimethyl-
SpectraBase Compound ID AbTimVAUw7y
InChI InChI=1S/C11H13ClO2/c1-11(2,10(13)14)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,13,14)
InChIKey BTCKPHZRFQRLHP-UHFFFAOYSA-N
Mol Weight 212.68 g/mol
Molecular Formula C11H13ClO2
Exact Mass 212.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFDMHc7P9WV
Name 3-(4-chlorophenyl)-2,2-dimethyl-propanoic acid
Carrier Gas Helium (1 ml/min)
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Exact Mass 212.060407357 u
Formula C11H13ClO2
GC Column Restek Rtx-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 220oC
InChI InChI=1S/C11H13ClO2/c1-11(2,10(13)14)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,13,14)
InChIKey BTCKPHZRFQRLHP-UHFFFAOYSA-N
Inlet Type Split
Instrument Name Thermo Scientific DSQII single quadrupole
Ionization Type EI
Literature Reference DOI 10.1002/chem.202200313
Molecular Weight 212.676 g/mol
Quality 138
SMILES OC(C(CC1=CC=C(C=C1)Cl)(C)C)=O
SPLASH splash10-004i-1910000000-1415b7f947e8a40bd3d9
Source of Spectrum QE-28-SM5-1b (DOI: 10.1002/chem.202200313)
Wiley ID 1900405