1-Chloro-2-propanol(127-00-4) 13C NMR
Product Name1-Chloro-2-propanol
CAS127-00-4
Molecular FormulaC3H7ClO
Molecular Weight94.54
InChIInChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3
InChIKey YYTSGNJTASLUOY-UHFFFAOYSA-N
SmilesC(Cl)C(O)C
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MassMS-IW-1369 1-chloro-2-propanol C3H7ClO (Mass of molecular ion: 94)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 4.9 18.0 1.6 19.0 6.3 26.0 1.5 27.0 12.8 28.0 3.7 29.0 7.1 31.0 43.9 36.0 1.7 38.0 1.0 39.0 3.5 41.0 6.6 42.0 1.9 43.0 20.5 44.0 1.7 45.0 100.0 46.0 3.2 49.0 3.0 51.0 1.0 57.0 3.1 58.0 2.6 59.0 1.2 62.0 4.2 63.0 3.8 64.0 1.4 65.0 3.6 77.0 1.6 79.0 14.9 81.0 4.8 93.0 1.1 95.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C3 H7 Cl O 0.05 ml : 0.5 ml CDCl3 1-chloro-2-propanol 
Assign. Shift(ppm)
A 4.01 B *1 3.567 C *1 3.472 D 3.22 E 1.272 J(A,B)=4.0HZ J(A,C)=6.7HA J(B,C)=-11.0HZ
Hz ppm Int.1608.28 4.025 41 1605.10 4.017 52 1602.17 4.009 60 1598.75 4.001 54 1595.95 3.994 44 1592.41 3.985 31 1434.33 3.589 181 1430.30 3.579 177 1423.34 3.562 294 1419.31 3.552 275 1395.39 3.492 384 1388.67 3.475 337 1384.40 3.465 246 1377.69 3.448 237 1284.67 3.215 100 511.47 1.280 1000 508.06 1.272 46 505.13 1.264 959
in CDCl3
CCl4 solution
liquid film (CONTAINS ca 25% 2-CHLORO-1-PROPANOL)
