5-Chloropentanol(5259-98-3) MS
Product Name5-Chloropentanol
CAS5259-98-3
Molecular FormulaC5H11ClO
Molecular Weight122.59
InChIInChI=1S/C5H11ClO/c6-4-2-1-3-5-7/h7H,1-5H2
InChIKey DCBJCKDOZLTTDW-UHFFFAOYSA-N
SmilesC(O)CCCCCl
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MassMS-NW-7635 5-chloro-1-pentanol C5H11ClO (Mass of molecular ion: 122)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
15.0 2.3 17.0 1.3 18.0 5.9 19.0 1.4 26.0 3.7 27.0 28.8 28.0 20.5 29.0 30.6 30.0 2.0 31.0 56.8 36.0 2.5 38.0 1.7 39.0 19.6 40.0 5.5 41.0 78.8 42.0 35.3 43.0 10.5 44.0 14.9 45.0 18.7 49.0 4.7 50.0 1.0 51.0 1.8 53.0 7.5 54.0 5.7 55.0 100.0 56.0 58.6 57.0 13.4 58.0 3.9 62.0 2.4 63.0 7.2 65.0 2.5 67.0 17.7 68.0 82.9 69.0 26.2 70.0 1.7 71.0 1.4 75.0 2.7 76.0 5.2 77.0 1.2 78.0 1.6 85.0 11.6 86.0 9.4 87.0 1.5 90.0 1.2 91.0 22.3 92.0 1.5 93.0 7.5 104.0 2.4 105.0 3.0 107.0 1.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H11 Cl O 0.05 ml : 0.5 ml DMSO-d6 5-chloro-1-pentanol 
Assign. Shift(ppm)
A 4.77 B 3.618 C 3.398 D 1.720 E 1.42
Hz ppm Int.1906.37 4.771 1000 1452.76 3.636 324 1446.17 3.619 603 1439.45 3.602 304 1364.26 3.414 187 1358.40 3.399 444 1352.42 3.385 239 701.17 1.755 58 694.46 1.738 169 687.50 1.721 235 680.79 1.704 166 673.95 1.687 53 590.33 1.478 32 587.65 1.471 38 580.93 1.454 93 572.02 1.432 407 569.09 1.424 395 565.67 1.416 355 560.67 1.403 174 556.88 1.394 94 553.34 1.385 61
in DMSO-d6
in CDCl3
liquid film
4880 A,200 M,liquid
