Molecular FormulaC11H15NO2S
Molecular Weight225.31
InChIInChI=1S/C11H15NO2S/c1-2-14-11(13)9-7-5-3-4-6-8(7)15-10(9)12/h2-6,12H2,1H3
InChIKey CDYVTVLXEWMCHU-UHFFFAOYSA-N
SmilesC12CCCCC=1C(C(OCC)=O)=C(N)S2
Mass
MS-IW-8161 ethyl 2-amino-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylate C11H15NO2S (Mass of molecular ion: 225)
Source Temperature: 160 °C Sample Temperature: 140 °C Direct, 75 eV
27.0 1.9 28.0 1.1 29.0 2.4 39.0 2.6 41.0 1.6 45.0 2.3 51.0 1.2 52.0 1.0 53.0 1.4 60.0 1.7 65.0 3.2 66.0 2.1 67.0 1.6 69.0 1.0 71.0 1.2 76.0 1.2 77.0 2.8 78.0 1.9 79.0 2.1 80.0 1.1 84.0 1.7 89.0 1.0 90.0 1.1 91.0 5.7 92.0 1.1 96.0 1.3 97.0 1.4 111.0 1.4 116.0 1.6 117.0 1.8 118.0 3.4 119.0 2.6 121.0 1.3 122.0 1.1 123.0 4.1 124.0 3.8 125.0 8.0 136.0 1.0 146.0 3.8 150.0 3.0 151.0 39.8 152.0 5.6 153.0 3.4 168.0 1.0 178.0 10.5 179.0 100.0 180.0 19.1 181.0 6.0 196.0 1.3 197.0 2.7 224.0 1.5 225.0 48.4 226.0 6.6 227.0 2.8
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C11 H15 N O2 S | 0.039 g : 0.5 ml CDCl3 |
ethyl 2-amino-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylate |
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Assign. Shift(ppm) |
Hz ppm Int.
1711.06 4.282 167 1703.98 4.264 500 1696.78 4.246 520 1689.70 4.228 176 1084.11 2.713 101 1080.08 2.703 115 1078.13 2.698 186 1076.42 2.694 106 1074.10 2.688 96 1072.14 2.683 102 1002.44 2.509 89 1000.49 2.504 90 998.29 2.498 103 996.46 2.494 188 994.51 2.489 119 990.48 2.479 108 711.55 1.781 94 709.59 1.776 78 707.89 1.772 86 705.20 1.765 126 703.86 1.762 143 702.64 1.759 143 699.83 1.752 147 697.27 1.745 142 695.92 1.742 146 695.07 1.740 126 694.46 1.738 117 691.53 1.731 87 690.19 1.727 82 688.23 1.723 90 538.70 1.348 528 531.62 1.331 1000 526.25 1.317 42 524.41 1.313 522
in CDCl3
KBr disc
nujol mull
ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE(4506-71-2) MS Atlas of Related Products
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