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3-(4-Chlorophenyl)-2-methyl-propionic acid methyl ester
SpectraBase Compound ID HU5FkLmTJcT
InChI InChI=1S/C11H13ClO2/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey IKPIAUWSINBJMY-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 9xpKNg1XPKS
Name methyl 3-(4-chlorophenyl)-2-methyl-propanoate
Carrier Gas Helium (1 ml/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey IKPIAUWSINBJMY-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 296
SMILES C1=C(C=CC(=C1)Cl)CC(C)C(OC)=O
SPLASH splash10-004i-1900000000-94129a1089eead66e1f6
Source of Spectrum QE-28-SM6-1c-E (DOI: 10.1002/chem.202200313)
Wiley ID 1900406