DIMETHYL 2,6-NAPHTHALENEDICARBOXYLATE(840-65-3) MS
Product NameDIMETHYL 2,6-NAPHTHALENEDICARBOXYLATE
CAS840-65-3
Molecular FormulaC14H12O4
Molecular Weight244.24
InChIInChI=1S/C14H12O4/c1-17-13(15)11-5-3-10-8-12(14(16)18-2)6-4-9(10)7-11/h3-8H,1-2H3
InChIKey GYUVMLBYMPKZAZ-UHFFFAOYSA-N
SmilesC1=C2C(C=C(C(OC)=O)C=C2)=CC=C1C(OC)=O
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MassMS-IW-2495 dimethyl 2,6-naphthalenedicarboxylate C14H12O4 (Mass of molecular ion: 244)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
50.0 1.3 63.0 6.1 74.0 2.3 75.0 2.2 76.0 2.3 77.0 9.3 77.5 1.1 87.0 1.1 91.0 7.4 91.5 1.0 99.0 1.4 100.0 1.0 106.0 1.6 114.0 2.7 115.0 1.6 125.0 4.4 126.0 16.9 127.0 4.1 142.0 1.4 153.0 2.3 154.0 14.6 155.0 2.6 170.0 6.2 171.0 1.2 185.0 32.5 186.0 4.7 199.0 2.1 213.0 100.0 214.0 14.6 215.0 1.6 244.0 81.7 245.0 12.7 246.0 1.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C14 H12 O4 0.043 g : 0.5 ml CDCl3 dimethyl 2,6-naphthalenedicarboxylate 
Assign. Shift(ppm)
A 8.594 B 8.083 C 7.975 D 3.985 J(A,B)=1.3HZ, J(B,C)=8.6HZ
Hz ppm Int.770.06 8.599 142 769.25 8.590 148 730.94 8.162 37 729.75 8.149 34 722.31 8.066 126 721.19 8.053 114 715.88 7.994 182 707.38 7.899 46 356.94 3.986 1000
in CDCl3
KBr disc
nujol mull
