3-Buten-1-ol(627-27-0) Raman
Product Name3-Buten-1-ol
CAS627-27-0
Molecular FormulaC4H8O
Molecular Weight72.11
InChIInChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2
InChIKey ZSPTYLOMNJNZNG-UHFFFAOYSA-N
SmilesC(O)CC=C
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MassMS-NW-2850 3-buten-1-ol C4H8O (Mass of molecular ion: 72)
Source Temperature: 270 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 2.0 26.0 2.9 27.0 15.7 28.0 5.5 29.0 7.2 31.0 66.6 32.0 1.1 37.0 2.0 38.0 3.4 39.0 28.2 40.0 7.7 41.0 35.1 42.0 100.0 43.0 16.1 44.0 7.0 50.0 1.7 51.0 1.7 53.0 3.4 54.0 3.0 55.0 2.5 57.0 6.3 71.0 2.1 72.0 7.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H8 O 0.05 ml : 0.5 ml CDCl3 3-buten-1-ol 
Assign. Shift(ppm)
A 5.810 B 5.13 C 5.10 D 3.654 E 2.76 F 2.318
Hz ppm Int.2342.53 5.862 74 2335.57 5.845 147 2332.28 5.836 84 2328.74 5.827 82 2325.32 5.819 230 2318.48 5.802 238 2315.06 5.793 93 2311.52 5.784 90 2308.23 5.776 174 2301.27 5.759 89 2060.30 5.156 113 2058.84 5.152 249 2057.13 5.148 269 2055.54 5.144 131 2043.21 5.113 236 2041.99 5.110 386 2041.50 5.109 389 2040.04 5.105 399 2033.08 5.088 135 2031.98 5.085 237 2030.88 5.082 211 2030.03 5.080 185 2028.93 5.077 104 1466.80 3.671 569 1460.33 3.655 1000 1453.74 3.638 575 1101.56 2.757 334 937.38 2.346 118 936.16 2.343 183 934.81 2.340 122 930.79 2.330 292 929.57 2.326 439 928.22 2.323 296 924.07 2.313 282 922.85 2.310 432 921.63 2.307 288 917.48 2.296 112 916.26 2.293 169 914.92 2.290 109
in CDCl3
liquid film
4880 A,200 M,liquid
