溴甲酚紫鈉鹽(62625-30-3)核磁圖(1HNMR)
分子式:C21H17Br2NaO5S
分子量: 564.22
InChI:InChI=1S/C21H16Br2O5S.Na/c1-11-7-13(9-16(22)20(11)24)19(14-8-12(2)21(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28;/h3-10,24H,1-2H3,(H,26,27,28);/q;+1/p-1/b19-14+;
InChIKey: KVSJYIXUWNOWBD-UGAWPWHASA-M
Smiles:C(=C1/C=C(C(=O)C(C)=C/1)Br)(/C1=CC(=C(O)C(C)=C1)Br)\C1C=CC=CC=1S([O-])(=O)=O.[Na+]
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Assign. Shift(ppm)
A 7.928
B *1 7.475
C *1 7.42
D 7.40
E 7.12
F 7.050
G 2.079
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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Spectral Code: IR : KBr disc