2,3-Naphthalenedicarboxylic acid(2169-87-1) IR2
Product Name2,3-Naphthalenedicarboxylic acid
CAS2169-87-1
Molecular FormulaC12H8O4
Molecular Weight216.19
InChIInChI=1S/C12H8O4/c13-11(14)9-5-7-3-1-2-4-8(7)6-10(9)12(15)16/h1-6H,(H,13,14)(H,15,16)
InChIKey KHARCSTZAGNHOT-UHFFFAOYSA-N
SmilesC1=C2C(C=CC=C2)=CC(C(O)=O)=C1C(O)=O
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MassMS-NW-7157 2,3-naphthalenedicarboxylic acid C12H8O4 (Mass of molecular ion: 216)
Source Temperature: 170 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 3.8 18.0 17.2 28.0 2.7 37.0 1.4 38.0 1.5 39.0 3.5 44.0 2.7 45.0 1.5 49.0 1.7 50.0 12.4 51.0 5.3 52.0 2.1 61.0 4.9 61.5 1.5 62.0 6.3 62.5 2.3 63.0 31.6 63.5 4.2 64.0 1.1 65.0 1.3 71.0 1.1 72.0 2.4 73.0 1.7 74.0 13.9 75.0 10.0 76.0 11.9 77.0 12.0 77.5 2.0 85.0 1.8 86.0 4.8 87.0 6.6 88.0 1.4 89.0 2.4 97.0 1.0 98.0 6.6 99.0 6.1 100.0 4.5 101.0 1.6 113.0 1.7 114.0 2.9 115.0 14.5 116.0 1.9 122.0 1.8 125.0 4.9 126.0 100.0 127.0 24.8 128.0 3.1 142.0 1.3 144.0 1.2 154.0 53.6 155.0 26.7 156.0 3.0 171.0 1.5 172.0 26.4 173.0 3.5 198.0 73.0 199.0 14.0 200.0 2.0 216.0 21.3 217.0 3.1 243.0 1.4
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C12 H8 O4 0.043 g : 0.5 ml DMSO-d6 2,3-naphthalenedicarboxylic acid 
Assign. Shift(ppm)
A 13. B 8.352 C 8.124 D 7.702
Hz ppm Int.748.14 8.354 1000 743.95 8.307 62 732.91 8.184 188 729.69 8.148 197 726.66 8.114 216 723.44 8.078 283 720.70 8.048 76 720.21 8.042 78 697.27 7.786 77 694.04 7.750 339 690.82 7.714 230 687.89 7.681 230 684.57 7.644 226
KBr disc
nujol mull
