Molecular FormulaC7H12O3
Molecular Weight144.17
InChI
InChIKey
Smiles
Mass
MS-IW-2018 (+-)-beta,beta-dimethyl-gamma-hydroxymethyl-gamma-butyrolactone C7H12O3 (Mass of molecular ion: 144)
Source Temperature: 230 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 3.3 17.0 9.7 18.0 48.8 20.0 1.0 27.0 10.9 28.0 12.2 29.0 24.7 31.0 9.6 32.0 2.2 38.0 1.0 39.0 13.3 40.0 3.4 41.0 54.3 42.0 5.5 43.0 45.0 44.0 3.1 45.0 3.1 51.0 1.0 53.0 2.9 54.0 1.0 55.0 12.7 56.0 58.2 57.0 27.1 58.0 2.3 59.0 5.1 60.0 1.0 67.0 8.9 68.0 1.3 69.0 6.0 70.0 1.3 71.0 6.4 72.0 1.8 73.0 1.0 83.0 5.7 84.0 1.7 85.0 23.8 86.0 2.5 95.0 14.0 96.0 1.3 111.0 2.5 113.0 100.0 114.0 7.1 116.0 1.9 126.0 1.4
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C7 H12 O3 | 0.034 g : 0.5 ml CDCl3 |
(+-)-beta,beta-dimethyl-gamma-hydroxymethyl-gamma-butyrolactone |
Assign. Shift(ppm) |
Hz ppm Int.
1675.90 4.194 118 1672.24 4.185 126 1670.65 4.181 144 1666.99 4.172 128 1537.60 3.848 25 1528.56 3.825 188 1527.34 3.822 210 1525.15 3.817 155 1521.97 3.809 160 1514.77 3.791 20 1509.40 3.777 21 1211.30 3.031 35 1009.40 2.526 166 992.43 2.484 277 947.14 2.370 290 930.05 2.328 173 487.92 1.221 1000 464.23 1.162 23 454.10 1.137 972
in CDCl3
KBr disc
nujol mull
BETA,BETA-DIMETHYL-GAMMA-(HYDROXYMETHYL)-GAMMA-BUTYROLACTONE)(52398-48-8) IR1 Atlas of Related Products
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