1-Chloropinacolone(13547-70-1) 13C NMR
Product Name1-Chloropinacolone
CAS13547-70-1
Molecular FormulaC6H11ClO
Molecular Weight134.6
InChIInChI=1S/C6H11ClO/c1-6(2,3)5(8)4-7/h4H2,1-3H3
InChIKey ULSAJQMHTGKPIY-UHFFFAOYSA-N
SmilesC(Cl)C(=O)C(C)(C)C
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MassMS-IW-5077 1-chloro-3,3-dimethyl-2-butanone C6H11ClO (Mass of molecular ion: 134)
Source Temperature: 200 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.7 28.0 1.3 29.0 26.6 39.0 7.4 40.0 1.1 41.0 43.3 42.0 3.6 43.0 2.2 49.0 5.2 51.0 1.8 53.0 1.0 55.0 7.6 56.0 4.8 57.0 100.0 58.0 5.6 77.0 5.7 79.0 1.9 85.0 37.2 86.0 2.1 91.0 1.1 134.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H11 Cl O 0.05 ml : 0.5 ml CDCl3 1-chloro-3,3-dimethyl-2-butanone 
Assign. Shift(ppm)
A 4.410 B 1.221
Hz ppm Int.1762.45 4.410 566 488.04 1.222 1000
in CDCl3
liquid film
