Product NameN-PHTHALOYL-L-PHENYLALANINE
CAS5123-55-7
Molecular FormulaC17H13NO4
Molecular Weight295.29
InChIInChI=1/C17H13NO4/c19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)/t14-/s3
InChIKey VAYRSTHMTWUHGE-WDHUHKLTNA-N
SmilesN1(C(=O)C2C=CC=CC=2C1=O)[C@H](C(=O)O)CC1C=CC=CC=1 |&1:11,r|
Mass
MS-IW-7214 (S)-3-phenyl-2-phthalimidopropionic acid C17H13NO4 (Mass of molecular ion: 295)
Source Temperature: 180 °C Sample Temperature: 170 °C Direct, 75 eV
17.0 1.4 18.0 7.1 28.0 1.5 39.0 1.0 50.0 2.4 51.0 2.0 65.0 3.4 75.0 1.6 76.0 7.0 77.0 8.0 78.0 1.2 91.0 18.9 92.0 1.8 102.0 4.8 103.0 7.6 104.0 6.9 105.0 2.5 117.0 1.0 120.0 1.2 125.0 3.4 130.0 11.3 131.0 3.2 132.0 1.1 147.0 37.5 148.0 100.0 149.0 10.9 160.0 2.1 204.0 5.2 205.0 1.2 232.0 6.0 233.0 1.1 249.0 6.8 250.0 4.9 251.0 2.9 295.0 7.7 296.0 1.6
400 MHz in DMSO-d6
1H NMR | 399.65 MHz |
C17 H13 N O4 | 0.041 g : 0.5 ml DMSO-d6 |
(S)-3-phenyl-2-phthalimidopropionic acid |
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Assign. Shift(ppm) |
Hz ppm Int.
3143.72 7.867 35 3142.87 7.865 40 3141.58 7.861 32 3139.45 7.856 59 3137.95 7.852 130 3135.81 7.847 346 3134.96 7.845 511 3134.10 7.843 708 3133.04 7.840 697 3132.18 7.838 460 3129.19 7.830 108 3127.91 7.827 52 3125.56 7.821 32 3124.27 7.818 44 3123.42 7.816 36 2879.39 7.205 30 2871.91 7.187 252 2871.06 7.184 244 2869.35 7.180 297 2866.14 7.172 1000 2862.51 7.163 69 2860.80 7.159 77 2852.04 7.137 70 2849.48 7.130 71 2848.41 7.128 59 2846.70 7.123 52 2844.99 7.119 58 2843.49 7.115 72 2841.78 7.111 48 2839.43 7.105 33 2837.72 7.101 37 2069.53 5.179 97 2064.83 5.167 114 2057.99 5.150 131 2053.08 5.138 105 1414.59 3.540 63 1409.67 3.528 68 1400.49 3.505 102 1395.57 3.492 93 1362.88 3.411 117 1351.12 3.381 117 1348.77 3.375 82 1337.02 3.346 74
in DMSO-d6
KBr disc
nujol mull
N-PHTHALOYL-L-PHENYLALANINE(5123-55-7) 13C NMR Atlas of Related Products
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