Product Name(R)-(-)-1,3-Butanediol
CAS6290-03-5
Molecular FormulaC4H10O2
Molecular Weight90.12
InChIInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
InChIKey PUPZLCDOIYMWBV-SCSAIBSYSA-N
SmilesC(O)C[C@H](O)C
Mass
MS-NW-6067 (R)-(-)-1,3-butanediol C4H10O2 (Mass of molecular ion: 90)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.4 15.0 7.4 18.0 3.0 19.0 26.0 26.0 2.9 27.0 19.7 28.0 28.4 29.0 18.1 30.0 1.8 31.0 27.1 37.0 1.1 38.0 1.4 39.0 8.2 40.0 2.4 41.0 13.1 42.0 16.7 43.0 92.4 44.0 23.8 45.0 100.0 46.0 6.7 47.0 2.3 53.0 1.3 54.0 1.7 55.0 4.5 57.0 26.0 58.0 1.5 62.0 1.1 71.0 3.1 72.0 32.3 73.0 2.0 75.0 11.8
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C4 H10 O2 | 0.05 ml : 0.5 ml CDCl3 |
(R)-(-)-1,3-butanediol |
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Assign. Shift(ppm) |
Hz ppm Int.
1759.77 4.404 88 1739.99 4.354 110 1736.94 4.347 109 1597.53 3.998 60 1592.53 3.985 61 1509.03 3.776 68 1500.61 3.755 61 1500.24 3.754 61 1492.68 3.735 74 672.61 1.683 157 666.63 1.669 348 660.64 1.654 302 659.42 1.650 161 655.27 1.640 90 653.81 1.636 95 483.64 1.211 941 477.29 1.195 1000
in CDCl3
liquid film
4880 A,200 M,liquid
(R)-(-)-1,3-Butanediol(6290-03-5) 1H NMR Atlas of Related Products
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