delta-Valerolactone(542-28-9) IR2
Product Namedelta-Valerolactone
CAS542-28-9
Molecular FormulaC5H8O2
Molecular Weight100.12
InChIInChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2
InChIKey OZJPLYNZGCXSJM-UHFFFAOYSA-N
SmilesC1(=O)OCCCC1
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MassMS-NW-1503 delta-valerolactone C5H8O2 (Mass of molecular ion: 100)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
14.0 1.4 15.0 2.6 26.0 7.4 27.0 26.9 28.0 27.2 29.0 7.5 31.0 1.6 37.0 2.0 38.0 3.5 39.0 24.5 40.0 8.1 41.0 100.0 42.0 99.2 43.0 8.1 44.0 4.8 50.0 1.7 51.0 1.4 53.0 2.2 54.0 2.3 55.0 17.5 56.0 76.1 57.0 3.6 70.0 14.9 71.0 3.9 100.0 23.4 101.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H8 O2 0.04 ml : 0.5 ml CDCl3 delta-valerolactone 
Assign. Shift(ppm)
A 4.34 B 2.55 C 2.15 to 1.63
Hz ppm Int.395.31 4.414 320 393.44 4.394 188 392.75 4.386 135 392.00 4.377 152 390.94 4.366 208 389.19 4.346 605 388.25 4.336 347 387.19 4.324 265 386.13 4.312 198 385.06 4.300 162 383.13 4.278 365 236.75 2.644 129 236.31 2.639 108 235.63 2.631 197 233.69 2.610 84 231.63 2.587 176 231.06 2.580 181 228.75 2.555 783 226.75 2.532 173 225.94 2.523 122 225.38 2.517 170 224.38 2.506 133 223.38 2.495 184 222.50 2.485 227 221.94 2.479 298 221.31 2.472 279 219.69 2.453 69 218.38 2.439 38 217.94 2.434 39 179.88 2.009 68 178.81 1.997 199 178.13 1.989 142 177.31 1.980 128 176.06 1.966 182 175.38 1.959 255 173.75 1.941 259 172.31 1.924 1000 169.13 1.889 691 167.81 1.874 533 165.31 1.846 709 162.44 1.814 367 159.69 1.784 66 158.00 1.765 43
in CDCl3
CCl4 solution
liquid film
