3-BUTEN-2-OL(598-32-3) Raman
Product Name3-BUTEN-2-OL
CAS598-32-3
Molecular FormulaC4H8O
Molecular Weight72.11
InChIInChI=1S/C4H8O/c1-3-4(2)5/h3-5H,1H2,2H3
InChIKey MKUWVMRNQOOSAT-UHFFFAOYSA-N
SmilesCC(O)C=C
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MassMS-NW-4344 3-buten-2-ol C4H8O (Mass of molecular ion: 72)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.1 15.0 3.9 19.0 1.7 26.0 6.5 27.0 29.9 28.0 3.9 29.0 24.4 31.0 10.4 37.0 1.9 38.0 2.6 39.0 13.7 40.0 1.2 41.0 6.1 42.0 3.7 43.0 73.1 44.0 5.8 45.0 30.6 49.0 1.4 50.0 4.3 51.0 3.5 52.0 1.1 53.0 6.9 54.0 5.9 55.0 10.3 56.0 1.0 57.0 100.0 58.0 3.4 71.0 13.8 72.0 2.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H8 O 0.04 ml : 0.5 ml CDCl3 3-buten-2-ol 
Assign. Shift(ppm)
A 5.90 B 5.21 C 5.07 D 4.29 E 2.06 F 1.276 J(D,F)=6.5HZ.
Hz ppm Int.547.69 6.116 59 542.00 6.052 61 537.50 6.002 74 531.88 5.939 77 530.44 5.923 101 524.75 5.860 105 520.25 5.809 122 514.63 5.747 134 475.69 5.312 83 474.31 5.297 135 473.94 5.292 130 472.69 5.278 117 459.25 5.128 130 458.06 5.115 164 457.50 5.109 143 456.69 5.100 115 456.38 5.096 117 455.50 5.086 70 449.13 5.015 85 447.88 5.001 115 447.38 4.996 86 446.19 4.983 87 392.31 4.381 36 391.88 4.376 34 391.13 4.368 56 386.69 4.318 33 385.44 4.304 66 384.69 4.296 68 383.44 4.282 33 380.25 4.246 32 379.00 4.232 57 378.25 4.224 35 377.81 4.219 32 184.56 2.061 132 183.81 2.053 124 117.38 1.311 1000 110.94 1.239 952
in CDCl3
liquid film
4880 A,200 M,liquid
