3-PENTEN-2-OL 96% PREDOMINANTLY TRANS(3899-34-1) IR1
Product Name3-PENTEN-2-OL 96% PREDOMINANTLY TRANS
CAS3899-34-1
Molecular FormulaC5H10O
Molecular Weight86.13
InChIInChI=1S/C5H10O/c1-3-4-5(2)6/h3-6H,1-2H3/b4-3+
InChIKey GJYMQFMQRRNLCY-ONEGZZNKSA-N
SmilesCC(O)/C=C/C
-
MassMS-NW-5566 trans-3-penten-2-ol C5H10O (Mass of molecular ion: 86)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.1 15.0 6.3 17.0 1.8 18.0 7.8 19.0 1.4 26.0 2.3 27.0 17.2 28.0 2.5 29.0 6.6 31.0 5.1 37.0 1.9 38.0 3.7 39.0 23.2 40.0 5.6 41.0 45.9 42.0 6.8 43.0 56.9 44.0 3.3 45.0 18.3 50.0 1.5 51.0 2.0 53.0 19.4 54.0 1.6 55.0 2.1 57.0 5.1 58.0 12.0 59.0 1.5 60.0 2.3 65.0 1.8 67.0 13.0 68.0 8.2 69.0 17.0 70.0 2.2 71.0 100.0 72.0 5.5 84.0 3.5 85.0 7.9 86.0 11.3
400 MHz in CDCl3
90 MHz in CDCl3
-
1H NMR 399.65 MHz C5 H10 O 0.05 ml : 0.5 ml CDCl3 trans-3-penten-2-ol 
Assign. Shift(ppm)
A 5.625 B 5.523 C 4.235 D 3.59 E 1.677 F 1.230 J(A.B)=15.4HZ. J(A,C)=-0.8HZ. J(A,E)=6.2HZ. J(B,C)=6.5HZ. J(B,E)=-1.5HZ. J(C,E)=0.8HZ. 90MHZ : HSP-03-653
Hz ppm Int.2267.82 5.675 30 2266.85 5.673 30 2261.35 5.659 76 2260.50 5.657 79 2255.13 5.643 77 2254.27 5.641 77 2252.44 5.637 52 2251.46 5.634 54 2248.90 5.628 36 2248.17 5.626 37 2246.09 5.621 133 2245.24 5.619 141 2239.75 5.605 140 2239.01 5.603 151 2233.52 5.589 58 2232.91 5.588 63 2217.90 5.550 64 2216.67 5.547 148 2215.21 5.543 143 2213.75 5.540 63 2211.55 5.534 64 2210.21 5.531 146 2208.74 5.527 144 2207.15 5.523 61 2202.51 5.512 30 2201.29 5.509 69 2199.95 5.505 81 2198.49 5.502 40 2196.29 5.496 33 2194.95 5.493 74 2193.36 5.489 81 2191.89 5.485 38 1705.08 4.267 33 1699.58 4.253 77 1698.73 4.251 109 1697.88 4.249 90 1693.12 4.237 112 1692.38 4.235 156 1691.53 4.233 133 1686.65 4.221 79 1685.91 4.219 111 1685.18 4.217 92 1679.57 4.203 33 1436.04 3.594 90 673.95 1.687 436 673.22 1.685 497 672.61 1.683 520 671.75 1.681 497 667.72 1.671 428 666.99 1.669 504 666.38 1.668 520 665.53 1.666 484 495.36 1.240 993 489.01 1.224 1000
-
1H NMR 89.56 MHz C5 H10 O 0.04 ml : 0.5 ml CDCl3 trans-3-penten-2-ol Assign. Shift(ppm)
A 5.64 B 5.53 C 4.23 D 1.92 E 1.681 F 1.240
Hz ppm Int.509.81 5.693 51 504.31 5.631 195 501.38 5.599 152 500.50 5.589 275 499.00 5.572 147 497.44 5.555 55 496.25 5.541 201 495.31 5.531 137 480.81 5.369 36 385.88 4.309 48 385.25 4.302 35 380.63 4.251 61 379.63 4.239 68 378.94 4.232 44 374.31 4.180 56 373.25 4.168 44 171.69 1.918 92 153.38 1.713 405 152.63 1.705 476 151.63 1.694 167 150.38 1.680 101 149.56 1.670 150 148.56 1.659 363 147.75 1.650 369 114.19 1.276 1000 111.94 1.250 35 107.88 1.205 956
liquid film
