13726-69-7

Boc-Hyp-OH(13726-69-7) IR2

Product NameBoc-Hyp-OH

CAS 13726-69-7

Molecular FormulaC10H17NO5

Molecular Weight231.25

InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7+/m1/s1

InChIKey BENKAPCDIOILGV-RQJHMYQMSA-N

SmilesN1(C(OC(C)(C)C)=O)C[C@H](O)C[C@H]1C(O)=O

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Boc-Hyp-OH(13726-69-7) IR2
Mass

MS-IW-6142          
trans-N-tert-butoxycarbonyl-4-hydroxy-L-proline
C10H17NO5           (Mass of molecular ion:    231)

   Source Temperature: 160 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      15.0       1.0
      18.0       1.5
      27.0       2.9
      28.0       5.0
      29.0      11.1
      30.0       2.9
      31.0       1.4
      39.0       5.2
      40.0       1.3
      41.0      32.8
      42.0       4.1
      43.0       5.0
      44.0       8.1
      45.0       1.3
      55.0       4.8
      56.0      12.4
      57.0      99.5
      58.0       8.1
      59.0       5.6
      68.0      37.3
      69.0       4.9
      73.0       1.7
      84.0       1.4
      86.0      94.9
      87.0      12.9
      88.0       2.0
     103.0       2.2
     112.0       1.8
     113.0       2.6
     129.0       2.7
     130.0     100.0
     131.0      23.4
     132.0       8.3
     142.0       1.1
     158.0       8.5
     172.0       2.1
     176.0       4.4
     186.0       9.2
     187.0       2.8

400MHZ in DMSO-d6