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4-METHYL-2-PENTYNE(21020-27-9) IR1
Product Name4-METHYL-2-PENTYNE
CAS21020-27-9
Molecular FormulaC6H10
Molecular Weight82.14
InChIInChI=1S/C6H10/c1-4-5-6(2)3/h6H,1-3H3
InChIKey SLMFWJQZLPEDDU-UHFFFAOYSA-N
SmilesCC#CC(C)C
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MassMS-NW-4722 4-methyl-2-pentyne C6H10 (Mass of molecular ion: 82)
Source Temperature: 210 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 4.3 17.0 1.9 18.0 9.2 26.0 2.3 27.0 12.8 28.0 1.0 29.0 3.9 31.0 1.1 32.0 1.6 37.0 3.2 38.0 5.4 39.0 39.2 40.0 8.5 41.0 68.4 42.0 6.9 43.0 15.9 44.0 1.7 50.0 5.0 51.0 7.4 52.0 4.1 53.0 13.1 54.0 7.4 55.0 5.9 56.0 1.4 57.0 1.4 58.0 1.5 61.0 1.7 62.0 2.8 63.0 5.3 64.0 1.1 65.0 20.6 66.0 6.3 67.0 100.0 68.0 6.1 70.0 1.8 77.0 6.7 78.0 1.1 79.0 10.6 80.0 11.7 81.0 12.4 82.0 49.1 83.0 15.7 84.0 1.0 96.0 1.6 98.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H10 0.04 ml : 0.5 ml CDCl3 4-methyl-2-pentyne 
Assign. Shift(ppm)
A 2.497 B 1.779 C 1.133
Hz ppm Int.1006.84 2.520 26 1004.52 2.514 29 1000.00 2.503 36 997.56 2.497 40 995.24 2.491 22 993.04 2.485 29 990.72 2.479 30 712.16 1.782 538 709.84 1.777 533 707.52 1.771 32 456.30 1.142 1000 449.34 1.125 921 447.02 1.119 46
liquid film
