十三硫醇(自命名)
产品名称
十三硫醇(自命名)
CAS号19484-26-5
分子式C13H28S
分子量216.43
InChIInChI=1S/C13H28S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3
InChIKeyIPBROXKVGHZHJV-UHFFFAOYSA-N
SmilesC(S)CCCCCCCCCCCC
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Assign. Shift(ppm)
A 2.51
B 1.60
C 1.30
D 1.26
E 0.89
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
34.13 277 1
31.97 319 2
29.69 1000 3
29.40 366 4
29.14 335 5
28.44 288 6
24.65 267 7
22.73 309 8
14.11 246 9
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
