3-Methoxythiophene(17573-92-1) MS
Product Name3-Methoxythiophene
CAS17573-92-1
Molecular FormulaC5H6OS
Molecular Weight114.17
InChIInChI=1S/C5H6OS/c1-6-5-2-3-7-4-5/h2-4H,1H3
InChIKey RFSKGCVUDQRZSD-UHFFFAOYSA-N
SmilesC1SC=CC=1OC
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MassMS-IW-9119 3-methoxythiophene C5H6OS (Mass of molecular ion: 114)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 2.1 26.0 2.4 27.0 1.6 28.0 8.7 29.0 1.3 32.0 2.2 37.0 1.6 38.0 2.8 39.0 10.6 44.0 1.5 45.0 41.7 46.0 1.1 47.0 2.0 50.0 1.4 53.0 2.2 55.0 11.2 57.0 3.0 58.0 4.7 59.0 1.1 60.0 1.0 69.0 3.9 70.0 1.2 71.0 9.4 72.0 1.0 73.0 12.4 81.0 2.6 82.0 1.8 83.0 1.4 84.0 19.5 85.0 9.4 86.0 1.5 99.0 88.7 100.0 4.8 101.0 4.2 113.0 1.5 114.0 100.0 115.0 6.7 116.0 4.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H6 O S 0.05 ml : 0.5 ml CDCl3 3-methoxythiophene 
Assign. Shift(ppm)
A 7.137 B 6.727 C 6.209 D 3.765
Hz ppm Int.2856.45 7.148 192 2853.39 7.140 194 2851.20 7.135 200 2848.14 7.127 194 2691.77 6.736 234 2690.19 6.732 232 2688.35 6.727 23 2686.52 6.723 217 2684.94 6.719 215 2483.64 6.215 207 2482.18 6.211 206 2480.59 6.207 205 2479.00 6.203 195 1504.64 3.765 1000
in CDCl3
liquid film
