BZ-DL-PHE-BETANA(100900-32-1) IR1

Molecular FormulaC26H22N2O2

Molecular Weight394.47

InChIInChI=1S/C26H22N2O2/c29-25(21-12-5-2-6-13-21)28-24(17-19-9-3-1-4-10-19)26(30)27-23-16-15-20-11-7-8-14-22(20)18-23/h1-16,18,24H,17H2,(H,27,30)(H,28,29)

InChIKey UYXGHMPRWWMUID-UHFFFAOYSA-N

SmilesC12C=CC=CC1=CC=C(NC(=O)C(NC(=O)C1C=CC=CC=1)CC1C=CC=CC=1)C=2

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¹HNMR

IR1

IR2

Mass

MS-NW-2361          
N-benzoyl-DL-phenylalanine 2-naphthylamide
C26H22N2O2          (Mass of molecular ion:    394)

   Source Temperature: 250 °C
   Sample Temperature: 270 °C
   Direct, 75 eV

      18.0       3.4
      27.0       1.2
      28.0       3.9
      39.0       2.5
      50.0       2.5
      51.0       6.0
      52.0       1.1
      63.0       2.3
      65.0       2.9
      71.5       1.0
      74.0       1.0
      75.0       1.5
      76.0       2.8
      77.0      28.1
      78.0       3.2
      89.0       2.3
      90.0       1.0
      91.0      27.9
      92.0       2.6
     102.0       1.5
     103.0       5.6
     104.0       5.4
     105.0      84.9
     106.0       7.1
     114.0       1.1
     115.0      10.4
     116.0       4.4
     117.0       2.3
     118.0       1.3
     120.0       1.0
     126.0       2.3
     127.0       8.0
     128.0       1.7
     131.0       2.6
     140.0       1.3
     141.0       1.1
     142.0       1.7
     143.0     100.0
     144.0      12.3
     153.0       4.3
     154.0       1.2
     169.0       2.4
     182.0       5.1
     183.0       1.0
     206.0       1.3
     223.0       3.0
     224.0       6.8
     225.0       1.5
     230.0       5.9
     231.0       1.2
     251.0       2.3
     252.0       1.6
     285.0       2.7
     374.0       1.8

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₂₆ H₂₂ N₂ O₂	0.043 g : 0.5 ml DMSO-d₆
N-benzoyl-DL-phenylalanine 2-naphthylamide

    Assign.     Shift(ppm)

      A            10.5
      B             8.87
      C             8.354
      D     *1      7.90
      E             7.88
      F     *1      7.86
      G     *1      7.84
      J             7.684
      K             7.54
      L             7.48
      M     *2      7.47
      N     *2      7.42
      P             7.313
      Q             7.204
      R             4.957
      S             3.21

     Hz     ppm     Int.

   4205.68  10.524    417
   3551.96   8.888    237
   3543.91   8.868    240
   3339.67   8.357    342
   3337.84   8.352    348
   3161.82   7.912    325
   3158.71   7.904    134
   3156.51   7.899    416
   3155.41   7.896    562
   3153.58   7.891    481
   3150.46   7.884    225
   3148.45   7.879    637
   3146.98   7.875    557
   3137.83   7.852    502
   3130.50   7.834    256
   3129.95   7.832    254
   3076.28   7.698    261
   3074.27   7.693    257
   3067.49   7.676    225
   3065.47   7.671    222
   3021.70   7.561    113
   3016.94   7.549     97
   3014.37   7.543    328
   3011.99   7.537    132
   3008.51   7.528    194
   3007.04   7.525    311
   3005.58   7.521    194
   3000.27   7.508    203
   2998.99   7.505    242
   2994.77   7.494    822
   2993.49   7.491    583
   2992.39   7.488    437
   2990.74   7.484    349
   2988.36   7.478    773
   2987.26   7.475   1000
   2984.15   7.467    292
   2981.77   7.461    145
   2980.12   7.457    273
   2978.84   7.454    180
   2972.79   7.439    213
   2971.51   7.436    185
   2966.02   7.422    165
   2964.73   7.419    253
   2963.63   7.416    216
   2957.96   7.402    130
   2956.67   7.399    127
   2930.11   7.332    292
   2928.47   7.328    137
   2922.79   7.314    563
   2915.09   7.295    333
   2887.62   7.226    124
   2886.52   7.223    199
   2885.24   7.220    132
   2880.84   7.209    108
   2879.01   7.204    273
   2871.68   7.186    106
   1983.88   4.965     97
   1982.23   4.960    119
   1978.93   4.952     98
   1977.28   4.948     96
   1291.51   3.232    196
   1286.01   3.218    292
   1275.57   3.192    171

KBr disc

nujol mull

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