6-氨基正已酸正已酯对甲苯磺酸盐(1926-86-9)核磁图(13CNMR)
分子式:C19H33NO5S
分子量: 387.53
InChI:InChI=1S/C12H25NO2.C7H8O3S/c1-2-3-4-8-11-15-12(14)9-6-5-7-10-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,13H2,1H3;2-5H,1H3,(H,8,9,10)
InChIKey: RVALTWBPTNLNAV-UHFFFAOYSA-N
Smiles:C1(S(=O)(=O)O)C=CC(C)=CC=1.O(CCCCCC)C(=O)CCCCCN
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Assign. Shift(ppm)
A 7.74
B 7.65
C 7.19
D 4.022
E 2.76
F 2.362
G 2.14
J 1.52
K 1.31
L 0.89
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
173.42 572 1
141.48 358 2
140.73 612 3
129.09 1000 4
125.95 915 5
64.48 517 6
39.78 284 7
33.92 443 8
31.47 517 9
28.65 478 10
27.08 363 11 *
25.89 398 12
25.62 522 13 *
24.28 433 14
22.55 557 15
21.30 428 16
14.00 438 17
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc