1-AMINO-8-NAPHTHOL-4-SULFONIC ACID(83-64-7) MS
Product Name1-AMINO-8-NAPHTHOL-4-SULFONIC ACID
CAS83-64-7
Molecular FormulaC10H9NO4S
Molecular Weight239.25
InChIInChI=1S/C10H9NO4S/c11-7-4-5-9(16(13,14)15)6-2-1-3-8(12)10(6)7/h1-5,12H,11H2,(H,13,14,15)
InChIKey LRDIEHDJWYRVPT-UHFFFAOYSA-N
SmilesC1(S(O)(=O)=O)=C2C(C(O)=CC=C2)=C(N)C=C1
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MassMS-IW-3894 4-amino-5-hydroxy-1-naphthalenesulfonic acid C10H9NO4S (Mass of molecular ion: 239)
Source Temperature: 180 °C Sample Temperature: 230 °C Direct, 75 eV
18.0 2.3 39.0 1.3 48.0 5.8 50.0 1.4 51.0 3.1 52.0 1.6 62.0 1.5 63.0 2.6 64.0 9.1 64.5 3.1 65.0 5.0 65.5 4.8 74.0 1.2 75.0 1.6 76.0 1.7 77.0 5.3 78.0 1.0 79.5 5.2 80.0 13.6 87.0 1.0 88.0 2.1 102.0 2.8 103.0 6.5 104.0 1.9 113.0 3.1 114.0 10.0 115.0 2.5 130.0 31.0 131.0 6.8 140.0 4.2 141.0 1.7 158.0 1.9 159.0 100.0 160.0 12.3
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H9 N O4 S saturated in DMSO-d6 4-amino-5-hydroxy-1-naphthalenesulfonic acid 
Assign. Shift(ppm)
A 8.384 B 7.909 C 7.386 D 7.265 E 6.972 F 4.
Hz ppm Int.3355.35 8.396 680 3351.32 8.386 73 3350.83 8.385 70 3346.80 8.375 739 3164.92 7.920 911 3160.89 7.910 113 3157.23 7.900 1000 2960.33 7.408 446 2956.54 7.398 60 2952.51 7.388 674 2947.75 7.376 68 2947.27 7.375 65 2943.97 7.367 486 2940.55 7.358 35 2940.19 7.357 30 2907.59 7.276 797 2899.78 7.256 773 2790.04 6.982 685 2786.01 6.972 93 2782.47 6.963 645
in DMSO-d6
KBr disc
nujol mull
