Product NameBETA-BUTYROLACTONE
CAS3068-88-0
Molecular FormulaC4H6O2
Molecular Weight86.09
InChIInChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3
InChIKey GSCLMSFRWBPUSK-UHFFFAOYSA-N
SmilesO1C(C)CC1=O
Mass
MS-IW-5642 beta-butyrolactone C4H6O2 (Mass of molecular ion: 86)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
13.0 1.1 14.0 7.1 15.0 11.5 18.0 3.0 25.0 1.3 26.0 6.0 27.0 14.9 28.0 5.5 29.0 13.9 36.0 1.9 37.0 5.7 38.0 8.6 39.0 33.0 40.0 13.7 41.0 38.1 42.0 100.0 43.0 80.5 44.0 30.6 45.0 2.6 60.0 1.9 68.0 10.5 69.0 1.3 71.0 4.3 86.0 1.0 87.0 1.0
90 MHz in CDCl3
1H NMR | 89.56 MHz |
C4 H6 O2 | 0.05 ml : 0.5 ml CDCl3 |
beta-butyrolactone |
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Assign. Shift(ppm) |
Hz ppm Int.
429.69 4.798 58 425.38 4.750 72 423.94 4.734 88 419.63 4.686 95 417.88 4.666 75 413.56 4.618 75 332.31 3.711 138 326.63 3.648 117 316.00 3.529 258 310.38 3.466 235 283.81 3.169 224 279.50 3.121 214 267.50 2.987 115 263.19 2.939 109 143.00 1.597 1000 140.56 1.570 62 136.88 1.529 945 134.56 1.503 39
in CDCl3
liquid film
4880 A,200 M,liquid
BETA-BUTYROLACTONE(3068-88-0) Raman Atlas of Related Products
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