8-Amino-1-naphthol-3,6-disulfonic acid monosodium salt monohydrate(5460-09-3) IR2
Molecular FormulaC10H10NNaO7S2
Molecular Weight343.3
InChIInChI=1S/C10H9NO7S2.Na.H2O/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8;;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);;1H2/q;+1;/p-1
InChIKey YYIGOAMEITZADH-UHFFFAOYSA-M
SmilesC12C=C(C=C(O)C1=C(N)C=C(S(=O)(=O)O)C=2)S([O-])(=O)=O.O.[Na+]
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H8 N Na O7 S2 0.027 g : 0.5 ml DMSO-d6 sodium hydrogen 4-amino-5-hydroxy-2,7-naphthalenedisulfonate 
Assign. Shift(ppm)
A 7.939 B 7.647 C 7.599 D 7.259
Hz ppm Int.3172.85 7.940 733 3163.09 7.915 31 3062.99 7.665 31 3062.62 7.664 33 3056.40 7.648 983 3049.07 7.630 50 3048.10 7.627 46 3047.73 7.626 47 3047.12 7.625 46 3046.75 7.624 46 3046.39 7.623 48 3045.65 7.621 49 3036.87 7.599 726 3028.20 7.578 38 3027.34 7.575 35 3026.61 7.574 32 2907.59 7.276 32 2902.71 7.264 781 2901.37 7.260 1000 2894.17 7.242 32
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1H NMR 89.56 MHz C10 H8 N Na O7 S2 0.042 g : 0.5 ml DMSO-d6 sodium hydrogen 4-amino-5-hydroxy-2,7-naphthalenedisulfonate Assign. Shift(ppm)
A 7.998 B 7.67 C 7.290 D 5.7 400MHZ : HSP-42-266 D-PEAK INCLUDES H2O IN DMSO-SOLVENT.
Hz ppm Int.716.94 8.006 447 715.88 7.994 491 686.88 7.670 1000 685.56 7.655 598 653.63 7.299 520 652.25 7.283 498 511.38 5.710 71
in DMSO-d6
KBr disc
nujol mull
