Methyl 3-amino-2-thiophenecarboxylate (22288-78-4) IR1

Product NameMethyl 3-amino-2-thiophenecarboxylate

CAS 22288-78-4

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

Request For Quotation

Mass

MS-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

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