Allyl alcohol(107-18-6) 13C NMR
Product NameAllyl alcohol
CAS107-18-6
Molecular FormulaC3H6O
Molecular Weight58.08
InChIInChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2
InChIKey XXROGKLTLUQVRX-UHFFFAOYSA-N
SmilesC(O)C=C
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MassMS-NW-0974 allyl alcohol C3H6O (Mass of molecular ion: 58)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.7 18.0 1.1 25.0 1.7 26.0 9.2 27.0 23.4 28.0 15.2 29.0 25.3 30.0 15.4 31.0 41.3 37.0 3.6 38.0 5.2 39.0 27.9 40.0 9.4 41.0 5.9 42.0 1.2 43.0 4.6 53.0 1.3 55.0 5.2 57.0 100.0 58.0 23.0 59.0 1.2
90 MHz in CDCl3
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1H NMR 89.56 MHz C3 H6 O 0.02 ml : 0.5 ml CDCl3 allyl alcohol 
Assign. Shift(ppm)
A 5.991 B 5.29 C 5.16 D 4.148 E 1.97
Hz ppm Int.552.63 6.171 161 547.56 6.114 180 542.50 6.058 201 535.44 5.979 247 530.38 5.923 290 525.25 5.865 305 520.31 5.810 178 481.13 5.373 361 479.38 5.353 468 477.75 5.335 207 467.88 5.225 177 466.50 5.209 384 466.00 5.204 202 465.63 5.200 193 465.13 5.194 268 464.69 5.189 308 463.94 5.181 308 463.31 5.174 188 462.19 5.161 278 456.31 5.096 271 454.50 5.075 245 375.38 4.192 550 374.00 4.176 835 372.38 4.158 560 370.38 4.136 514 368.94 4.120 835 367.31 4.102 547 176.69 1.973 1000
in CDCl3
liquid film
4880 A,200 M,liquid
GAMMA-RAY IRRAD. OF ALLYL ALCOHOL GLASS AT 77K
GAMMA-IRRAD. WITH TEA
