Cyclopropyl carbinol(2516-33-8) MS
Product NameCyclopropyl carbinol
CAS2516-33-8
Molecular FormulaC4H8O
Molecular Weight72.11
InChIInChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2
InChIKey GUDMZGLFZNLYEY-UHFFFAOYSA-N
SmilesC1(CO)CC1
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MassMS-NW-6425 cyclopropylmethanol C4H8O (Mass of molecular ion: 72)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
15.0 1.8 18.0 1.2 26.0 2.5 27.0 12.2 28.0 2.6 29.0 6.5 31.0 16.8 37.0 1.2 38.0 2.1 39.0 14.2 40.0 2.2 41.0 10.7 42.0 12.1 43.0 22.1 44.0 100.0 45.0 3.0 50.0 1.1 51.0 1.0 53.0 3.3 54.0 2.0 55.0 4.9 57.0 4.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H8 O 0.05 ml : 0.5 ml CDCl3 cyclopropylmethanol 
Assign. Shift(ppm)
A 3.423 B 3.25 C 1.076 D 0.509 E 0.206
Hz ppm Int.1371.58 3.432 867 1364.62 3.415 870 1300.42 3.254 391 449.95 1.126 46 445.07 1.114 99 442.99 1.109 115 441.89 1.106 109 440.19 1.102 85 438.11 1.097 226 437.01 1.094 225 436.04 1.092 138 434.81 1.088 206 433.35 1.085 169 432.13 1.082 163 431.03 1.079 197 430.05 1.077 377 429.08 1.074 211 428.10 1.072 158 426.88 1.069 174 426.27 1.067 148 425.17 1.064 217 424.19 1.062 151 423.10 1.059 227 422.12 1.057 249 419.92 1.051 88 418.09 1.047 116 417.24 1.045 138 415.16 1.039 108 410.28 1.027 55 218.99 0.548 45 217.16 0.544 40 212.77 0.533 307 208.25 0.522 830 207.03 0.519 897 205.08 0.514 403 202.39 0.507 418 200.20 0.501 873 198.97 0.498 771 194.58 0.487 336 187.87 0.471 50 180.05 0.451 38 104.00 0.261 33 98.88 0.248 37 89.48 0.224 350 89.11 0.223 350 84.84 0.213 1000 83.74 0.210 908 79.96 0.201 846 78.74 0.198 985 74.10 0.186 269
in CDCl3
liquid film
4880 A,200 M,liquid
