Product Name 3-Pentanone
CAS96-22-0
MFC5H10O
MW86.13
InChIInChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
InChIKeyFDPIMTJIUBPUKL-UHFFFAOYSA-N
SmilesCCC(=O)CC
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Mass
MS-NW-0749 3-pentanone C5H10O (Mass of molecular ion: 86)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 2.5 27.0 12.4 28.0 4.3 29.0 59.4 30.0 1.4 39.0 1.8 41.0 2.0 42.0 1.8 43.0 1.6 55.0 1.3 56.0 3.7 57.0 100.0 58.0 3.4 86.0 21.2 87.0 1.2
400 MHz in CDCl3
Assign. Shift(ppm) A 2.439 B 1.058
Hz ppm Int.
986.08 2.468 234 978.76 2.450 614 971.31 2.431 612 963.87 2.412 240 435.06 1.089 29 430.30 1.077 694 427.73 1.071 56 422.97 1.059 1000 415.41 1.040 629
in CDCl3
CCl4 solution
liquid film
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3-Pentanone(96-22-0)MS Atlas of Related Products
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