2-Thiophenecarboxaldehyde,5-methyl-,oxime(7CI,9CI)(42456-40-6) MS
Product Name2-Thiophenecarboxaldehyde,5-methyl-,oxime(7CI,9CI)
CAS42456-40-6
Molecular FormulaC6H7NOS
Molecular Weight141.19
InChIInChI=1S/C6H7NOS/c1-5-2-3-6(9-5)4-7-8/h2-4,8H,1H3
InChIKey XRUDLQMYHUIYOJ-UHFFFAOYSA-N
SmilesC1(C=NO)SC(C)=CC=1
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MassMS-KW-0654 5-methyl-2-thiophenecarbaldehyde oxime C6H7NOS (Mass of molecular ion: 141)
Source Temperature: 130 °C Sample Temperature: 120 °C Direct, 75 eV
27.0 2.6 28.0 1.2 37.0 1.1 38.0 1.6 39.0 3.8 45.0 10.1 47.0 1.3 50.0 2.0 51.0 3.4 52.0 1.8 53.0 16.4 54.0 1.0 57.0 2.3 58.0 2.3 59.0 4.3 61.0 1.0 61.5 2.1 62.0 1.1 63.0 1.6 64.0 1.0 65.0 1.3 66.0 2.7 69.0 4.8 70.0 4.2 71.0 2.9 77.0 1.2 78.0 1.7 80.0 2.2 81.0 1.4 82.0 1.3 84.0 1.0 85.0 1.6 93.0 1.1 95.0 4.1 96.0 8.6 97.0 29.0 98.0 48.7 99.0 4.2 100.0 2.3 109.0 1.8 110.0 1.8 113.0 4.5 114.0 1.5 122.0 21.4 123.0 13.5 124.0 13.2 125.0 4.3 126.0 1.0 140.0 7.3 141.0 100.0 142.0 8.9 143.0 4.8
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C6 H7 N O S 0.040 g : 0.5 ml DMSO-d6 5-methyl-2-thiophenecarbaldehyde oxime 
Assign. Shift(ppm)
A 12.9 B 7.558 C 6.895 D 2.496
Hz ppm Int.3022.61 7.564 268 3019.13 7.555 272 2758.30 6.902 201 2757.21 6.900 202 2756.29 6.897 102 2755.74 6.896 98 2754.64 6.893 198 2753.54 6.890 191 997.89 2.497 1000 997.34 2.496 961
in DMSO-d6
KBr disc
nujol mull
