ERIO GREEN B(12768-78-4) 1H NMR
Molecular FormulaC31H33N2NaO6S2
Molecular Weight616.72
InChIInChI=1S/C31H34N2O6S2.Na/c1-5-32(6-2)25-13-9-22(10-14-25)31(23-11-15-26(16-12-23)33(7-3)8-4)30-21-28(41(37,38)39)20-24-19-27(40(34,35)36)17-18-29(24)30;/h9-21H,5-8H2,1-4H3,(H-,34,35,36,37,38,39);/q;+1/p-1
InChIKey UWGCNDBLFSEBDW-UHFFFAOYSA-M
SmilesC(=C1C=CC(=[N+](CC)CC)C=C1)(C1=CC=C(N(CC)CC)C=C1)C1C=C(C=C2C=C(S([O-])(=O)=O)C=CC=12)S([O-])(=O)=O.[Na+] |t:0,4|
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![](https://www.chemicalbook.com/Spectrum/12768-78-4_1HNMR_0.jpg)
Assign. Shift(ppm)
A *1 8.60
B *1 8.43
C 7.76
D 7.403
E 6.99
F 6.923
G 6.614
J 3.43
K 1.02
Spectral Code: 1H NMR : 400 MHz in D2O
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![](https://www.chemicalbook.com/Spectrum/12768-78-4_13CNMR_0.jpg)
ppm Int. Assign.
170.89 130 1
154.79 336 2
146.31 144 3 *
145.06 158 4 *
139.39 506 5
136.68 162 6
132.24 147 7 #
131.82 157 8 #
129.05 129 9
127.91 124 10
126.75 348 11
125.91 137 12 *1
125.09 209 13 *1
14
114.13 534 15
45.34 548 16
12.60 1000 17
ASSIGNED BY C-H COSY.
Spectral Code: 13C NMR : in DMSO-d6
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![](https://www.chemicalbook.com/Spectrum/12768-78-4_IR1_0.jpg)
Spectral Code: IR : KBr disc