7764-95-6

BOC-D-Alanine(7764-95-6) MS

Product NameBOC-D-Alanine

CAS 7764-95-6

Molecular FormulaC8H15NO4

Molecular Weight189.21

InChIInChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m1/s1

InChIKey QVHJQCGUWFKTSE-RXMQYKEDSA-N

SmilesC(O)(=O)[C@@H](C)NC(OC(C)(C)C)=O

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¹HNMR

BOC-D-Alanine(7764-95-6) MS
Mass

MS2001-00156WA      
N-(tert-butoxycarbonyl)-D-alanine
C8H15NO4            (Mass of molecular ion:    177)

   Source Temperature: 215 °C
   Sample Temperature:  30 °C
   Direct, 70 eV

      15.0       3.0
      18.0       2.7
      26.0       1.1
      27.0       6.9
      28.0      13.0
      29.0      11.8
      31.0       3.2
      39.0      10.5
      40.0       2.7
      41.0      31.3
      42.0      10.9
      43.0      13.6
      44.0      30.3
      45.0      14.0
      53.0       1.1
      55.0       3.6
      56.0       5.2
      57.0     100.0
      58.0       4.5
      59.0      53.3
      60.0       1.8
      70.0       4.9
      74.0       2.5
      88.0      27.7
      89.0       5.0
      90.0       3.6
     116.0       4.4
     134.0       1.6
     144.0      36.2
     145.0       3.0

400MHZ in D2O