3303-84-2

Boc-beta-alanine(3303-84-2) ¹H NMR

Product NameBoc-beta-alanine

CAS 3303-84-2

Molecular FormulaC8H15NO4

Molecular Weight189.21

InChIInChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9-5-4-6(10)11/h4-5H2,1-3H3,(H,9,12)(H,10,11)

InChIKey WCFJUSRQHZPVKY-UHFFFAOYSA-N

SmilesC(=O)(NCCC(=O)O)OC(C)(C)C

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¹HNMR

Boc-beta-alanine(3303-84-2) <sup>1</sup>H NMR
Mass

MS2001-00155WA      
N-(tert-butoxycarbonyl)-beta-alanine
C8H15NO4            (Mass of molecular ion:    177)

   Source Temperature: 220 °C
   Sample Temperature:  30 °C
   Direct, 70 eV

      15.0       4.0
      18.0       1.2
      26.0       1.7
      27.0      12.4
      28.0      11.7
      29.0      19.3
      30.0       8.4
      31.0       6.3
      38.0       1.0
      39.0      16.2
      40.0       3.5
      41.0      42.4
      42.0      10.1
      43.0      22.2
      44.0       2.5
      45.0      12.5
      53.0       1.5
      55.0       4.1
      56.0       7.3
      57.0     100.0
      58.0       4.5
      59.0      43.5
      60.0       8.9
      70.0       6.8
      72.0       2.9
      74.0       3.6
      87.0       3.3
      88.0       5.3
      89.0       1.5
      90.0       7.7
      98.0      13.8
     115.0       1.1
     116.0      14.7
     130.0       3.6
     132.0       1.8
     133.0      12.3
     134.0       9.1

400MHZ in DMSO-d6