97-67-6

L-蘋果酸(97-67-6)Raman光譜

產品名稱:L-蘋果酸

CAS:97-67-6

分子式:C4H6O5

分子量: 134.09

InChI:InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1

InChIKey: BJEPYKJPYRNKOW-REOHCLBHSA-N

Smiles:C(O)(=O)[C@@H](O)CC(O)=O

Mass

MS-NW-0232          
L-(-)-malic acid
C4H6O5              (Mass of molecular ion:    134)

   Source Temperature: 200 °C
   Sample Temperature:   0 °C
   Direct, 75 eV

      14.0       4.4
      15.0      13.2
      17.0       1.4
      18.0       3.9
      19.0      17.9
      25.0       1.8
      26.0       8.2
      27.0      24.2
      28.0       4.9
      29.0      32.4
      30.0       2.1
      31.0       3.6
      41.0       3.3
      42.0      30.9
      43.0     100.0
      44.0      23.4
      45.0      37.4
      46.0       2.9
      47.0      10.9
      53.0       3.1
      54.0       1.9
      55.0       9.5
      60.0      12.3
      69.0       2.8
      71.0      71.7
      72.0      18.7
      73.0       1.8
      88.0       3.7
      89.0      54.6
      90.0       5.8
      99.0       1.4

90 MHz in D2O

400 MHz in DMSO-d6

¹H NMR	89.56 MHz
C₄ H₆ O₅	0.038 g : 0.5 ml D₂O
L-(-)-malic acid

    Assign.     Shift(ppm)

      B             4.598
      C     *1      2.91
      D     *1      2.86
     
     J(B,C)=5.3HZ
     J(B,D)=6.2HZ
     J(C,D)=-17.0HZ
     THE SOLVENT SIGNAL REMOVED.

     Hz     ppm     Int.

    417.81   4.666    322
    412.56   4.607    401
    411.56   4.596    442
    406.38   4.538    372
    261.56   2.921   1000
    256.56   2.865    657
    255.13   2.849    627

¹H NMR	399.65 MHz
C₄ H₆ O₅	0.039 g : 0.5 ml DMSO-d₆
L-(-)-malic acid

    Assign.     Shift(ppm)

      A            12.4
      B             5.5
      C             4.270
      D     *1      2.618
      E     *1      2.455

     Hz     ppm     Int.

   4963.26  12.420    116
   1712.79   4.286    727
   1708.21   4.275    822
   1705.10   4.267    892
   1700.33   4.255    770
   1058.15   2.648    658
   1053.39   2.636    684
   1042.40   2.609    995
   1037.64   2.597    970
    991.48   2.481   1000
    983.60   2.462    970
    975.91   2.442    660
    968.03   2.423    661

in D2O

in DMSO-d6