ACID RED 1(3734-67-6) IR2
Product NameACID RED 1
CAS3734-67-6
Molecular FormulaC18H13N3Na2O8S2
Molecular Weight509.42
InChIInChI=1S/C18H15N3O8S2.2Na/c1-10(22)19-14-9-13(30(24,25)26)7-11-8-15(31(27,28)29)17(18(23)16(11)14)21-20-12-5-3-2-4-6-12;;/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b21-20+;;
InChIKey WXLFIFHRGFOVCD-SERMZQFOSA-L
SmilesC12=C(O)C(=C(S([O-])(=O)=O)C=C1C=C(S([O-])(=O)=O)C=C2NC(=O)C)/N=N/C1C=CC=CC=1.[Na+].[Na+]
400 MHz in D2O at 60.C
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1H NMR 399.65 MHz C18 H13 N3 Na2 O8 S2 0.042 g : 0.5 ml D2O at 60 C azophloxine 
Assign. Shift(ppm)
A 8.635 B 7.639 C 7.513 D 7.303 E 7.022 F 6.824 G 2.303 SOLVENT PEAK REMOVED
Hz ppm Int.3451.90 8.638 235 3450.20 8.634 237 3053.59 7.641 199 3052.12 7.637 199 3002.56 7.513 323 2922.73 7.314 181 2915.16 7.295 204 2814.33 7.042 119 2806.76 7.024 201 2802.12 7.012 36 2798.58 7.003 124 2734.25 6.842 70 2726.93 6.824 114 2719.48 6.805 51 920.65 2.304 1000
in D2O
KBr disc
nujol mull
