Dimethyl 5-aminoisophthalate (99-27-4) Raman
Product NameDimethyl 5-aminoisophthalate
CAS99-27-4
Molecular FormulaC10H11NO4
Molecular Weight209.2
InChIInChI=1S/C10H11NO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,11H2,1-2H3
InChIKey DEKPYXUDJRABNK-UHFFFAOYSA-N
SmilesC1(C(OC)=O)=CC(N)=CC(C(OC)=O)=C1
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MassMS-IW-2507 dimethyl 5-aminoisophthalate C10H11NO4 (Mass of molecular ion: 209)
Source Temperature: 180 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 1.0 28.0 1.0 41.0 1.8 45.5 1.9 52.0 2.4 59.0 1.2 59.5 2.2 62.0 1.8 63.0 5.5 64.0 2.8 65.0 2.9 73.5 2.3 79.0 1.8 89.0 1.6 90.0 2.8 91.0 6.0 92.0 2.7 93.0 1.3 107.0 3.0 118.0 2.6 119.0 1.7 120.0 4.8 122.0 15.8 123.0 1.4 135.0 8.8 136.0 1.0 149.0 1.2 150.0 30.3 151.0 12.8 152.0 1.2 164.0 1.2 178.0 79.4 179.0 8.7 180.0 1.0 208.0 1.0 209.0 100.0 210.0 11.6 211.0 1.5
90 MHz in DMSO-d6
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1H NMR 89.56 MHz C10 H11 N O4 0.045 g : 0.5 ml DMSO-d6 dimethyl 5-aminoisophthalate 
Assign. Shift(ppm)
A 7.686 B 7.451 C 5.7 D 3.866
Hz ppm Int.689.56 7.700 76 688.06 7.683 118 686.56 7.666 69 668.06 7.460 261 666.56 7.443 202 519.75 5.804 27 514.81 5.749 120 352.75 3.939 23 346.31 3.867 1000 341.63 3.815 32
in DMSO-d6
KBr disc
nujol mull
