2-AMINO-3-CHLORO-1,4-NAPHTHOQUINONE(2797-51-5) IR1
Product Name2-AMINO-3-CHLORO-1,4-NAPHTHOQUINONE
CAS2797-51-5
Molecular FormulaC10H6ClNO2
Molecular Weight207.61
InChIInChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2
InChIKey OBLNWSCLAYSJJR-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=CC=C2)C(=O)C(Cl)=C1N
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MassMS-IW-5658 2-amino-3-chloro-1,4-naphthoquinone C10H6ClNO2 (Mass of molecular ion: 207)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
28.0 1.1 39.0 1.2 40.0 1.0 50.0 5.2 51.0 2.1 57.5 1.6 62.0 1.5 63.0 2.2 68.0 3.7 74.0 2.9 75.0 3.6 75.5 1.4 76.0 10.7 77.0 5.5 87.0 1.1 88.0 2.2 89.0 11.7 89.5 1.1 90.0 1.5 104.0 5.2 105.0 7.6 114.0 1.2 115.0 1.9 116.0 7.2 117.0 1.1 123.0 1.8 126.0 2.5 128.0 4.0 144.0 12.7 145.0 1.6 151.0 1.2 154.0 5.4 163.0 1.0 171.0 1.3 172.0 84.1 173.0 9.7 179.0 4.2 180.0 5.8 181.0 1.9 182.0 1.8 206.0 1.1 207.0 100.0 208.0 11.9 209.0 33.0 210.0 3.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H6 Cl N O2 saturated in DMSO-d6 2-amino-3-chloro-1,4-naphthoquinone 
Assign. Shift(ppm)
A 7.99 B *1 7.835 C *1 7.752 D 7.6
Hz ppm Int.3197.02 8.000 646 3195.56 7.996 786 3195.07 7.995 761 3193.73 7.992 690 3189.70 7.982 817 3187.99 7.977 1000 3186.04 7.973 827 3139.89 7.857 361 3138.67 7.854 375 3136.35 7.848 49 3132.45 7.838 770 3131.10 7.835 740 3127.32 7.826 46 3127.08 7.825 46 3124.88 7.820 461 3123.54 7.816 422 3105.22 7.770 527 3103.88 7.767 533 3101.56 7.761 55 3097.66 7.751 751 3096.44 7.748 724 3092.65 7.739 53 3090.09 7.732 309 3088.87 7.729 299 3016.97 7.550 210
in DMSO-d6
KBr disc
nujol mull
