Methyl 3-amino-2-thiophenecarboxylate (22288-78-4) MS
Product NameMethyl 3-amino-2-thiophenecarboxylate
CAS22288-78-4
Molecular FormulaC6H7NO2S
Molecular Weight157.19
InChIInChI=1S/C6H7NO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,7H2,1H3
InChIKey TWEQNZZOOFKOER-UHFFFAOYSA-N
SmilesC1(C(OC)=O)SC=CC=1N
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MassMS-NW-8017 methyl 3-amino-2-thiophenecarboxylate C6H7NO2S (Mass of molecular ion: 157)
Source Temperature: 130 °C Sample Temperature: 100 °C Direct, 75 eV
15.0 7.0 18.0 1.0 26.0 1.2 27.0 2.5 28.0 9.0 29.0 2.2 37.0 1.7 38.0 2.0 39.0 4.9 40.0 2.0 41.0 1.6 42.0 1.1 44.0 2.8 45.0 19.0 46.0 1.4 52.0 9.8 53.0 4.1 54.0 23.5 55.0 1.1 57.0 1.8 58.0 2.3 59.0 2.4 68.0 1.9 69.0 4.4 70.0 14.1 71.0 18.7 72.0 9.6 73.0 1.3 81.0 1.1 96.0 1.8 97.0 23.2 98.0 19.5 99.0 6.1 100.0 1.7 125.0 100.0 126.0 57.0 127.0 8.6 128.0 3.2 157.0 90.4 158.0 6.9 159.0 4.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H7 N O2 S 0.047 g : 0.5 ml CDCl3 methyl 3-amino-2-thiophenecarboxylate 
Assign. Shift(ppm)
A 7.255 B 6.525 C 5.5 D 3.818
Hz ppm Int.652.56 7.287 125 647.25 7.228 138 586.88 6.553 163 581.50 6.493 139 491.81 5.492 29 342.00 3.819 1000
in CDCl3
KBr disc
nujol mull
