3-甲基水杨酸钠(32768-20-0)核磁图(13CNMR)
InChI:InChI=1S/C8H8O3.Na/c1-5-3-2-4-6(7(5)9)8(10)11;/h2-4,9H,1H3,(H,10,11);/q;+1/p-1
InChIKey: ODAXNLPYGWAGTH-UHFFFAOYSA-M
Smiles:C1(C=CC=C(C)C=1O)C([O-])=O.[Na+]
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Assign. Shift(ppm)
A 15.81
B 7.595
C 7.064
D 6.546
E 2.112
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
172.75 519 1
160.59 658 2
132.24 874 3
127.73 1000 4
123.75 594 5
119.06 486 6
115.57 874 7
15.59 962 8
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : nujol mull