6290-03-5

(R)-(-)-1,3-Butanediol(6290-03-5) MS

Product Name(R)-(-)-1,3-Butanediol

CAS 6290-03-5

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

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(R)-(-)-1,3-Butanediol(6290-03-5) MS
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

(R)-(-)-1,3-Butanediol(6290-03-5) MS

¹H NMR	399.65 MHz
C₄ H₁₀ O₂	0.05 ml : 0.5 ml CDCl₃
(R)-(-)-1,3-butanediol

    Assign.     Shift(ppm)

      A     *1      4.40
      B     *1      4.35
      C             3.99
      D             3.74
      E             1.658
      F             1.202

     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