3-CHLOROBUTYRIC ACID(1951-12-8) 13C NMR
Product Name3-CHLOROBUTYRIC ACID
CAS1951-12-8
Molecular FormulaC4H7ClO2
Molecular Weight122.55
InChIInChI=1S/C4H7ClO2/c1-3(5)2-4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKey XEEMVPPCXNTVNP-UHFFFAOYSA-N
SmilesC(O)(=O)CC(Cl)C
-
MassMS-NW-4363 3-chlorobutyric acid C4H7ClO2 (Mass of molecular ion: 122)
Source Temperature: 230 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.3 18.0 1.1 26.0 3.8 27.0 31.5 28.0 2.7 29.0 2.4 31.0 2.2 36.0 4.5 37.0 3.7 38.0 5.8 39.0 28.0 40.0 7.4 41.0 53.6 42.0 23.2 43.0 31.8 44.0 5.2 45.0 27.6 49.0 2.7 57.0 1.8 58.0 15.6 59.0 2.3 60.0 19.8 61.0 2.0 62.0 2.2 63.0 18.2 64.0 1.1 65.0 6.4 68.0 4.6 69.0 9.3 71.0 4.8 76.0 4.7 77.0 4.4 78.0 1.8 79.0 1.7 85.0 1.8 86.0 31.4 87.0 100.0 88.0 4.9 105.0 1.9 121.0 1.2
in CDCl3
liquid film
