4-乙基-1-辛炔-3-醇(5877-42-9)紅外圖譜(IR1)
InChI:InChI=1S/C10H18O/c1-4-7-8-9(5-2)10(11)6-3/h3,9-11H,4-5,7-8H2,1-2H3
InChIKey: CUUQUEAUUPYEKK-UHFFFAOYSA-N
Smiles:C#CC(O)C(CC)CCCC
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Assign. Shift(ppm)
A *1 4.417
B *1 4.414
C *2 2.445
D *2 2.444
E 2.24
F 1.59
G 1.53 to 1.350
J 1.32
K *3 0.94
L *3 0.93
M 0.91
OPTICAL ISOMER
Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
84.26 592 1
73.56 562 2
64.74 507 3
64.68 468 3
45.64 1000 4
29.53 498 5
29.46 473 5
29.11 473 6
28.78 408 6
23.09 627 7
22.53 413 8
22.21 413 8
14.09 587 9
11.65 383 10
11.50 378 10
Mixture of diastereomers.
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film