Product Name(S)-(+)-2-Phenylglycinol
CAS20989-17-7
Molecular FormulaC8H11NO
Molecular Weight137.18
InChIInChI=1/C8H11NO/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2/t8-/s3
InChIKey IJXJGQCXFSSHNL-SBYBRXNCNA-N
SmilesC1(=CC=CC=C1)[C@H](N)CO |&1:6,r|
Mass
MS-IW-9288 (S)-(+)-2-amino-2-phenylethanol C8H11NO (Mass of molecular ion: 137)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.1 28.0 21.8 29.0 1.1 31.0 1.4 39.0 2.5 42.0 1.2 50.0 2.1 51.0 5.5 52.0 1.9 53.0 1.9 63.0 1.2 65.0 1.6 77.0 14.6 78.0 3.1 79.0 33.7 80.0 2.3 91.0 3.7 104.0 4.6 105.0 1.2 106.0 100.0 107.0 8.3
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C8 H11 N O | 0.037 g : 0.5 ml CDCl3 |
(S)-(+)-2-amino-2-phenylethanol |
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Assign. Shift(ppm) |
Hz ppm Int.
2937.62 7.351 83 2936.40 7.348 123 2934.81 7.344 66 2930.79 7.334 200 2929.08 7.330 399 2928.10 7.327 349 2925.17 7.320 137 2922.36 7.313 1000 2919.92 7.307 774 2916.50 7.298 97 2915.16 7.295 136 2913.70 7.291 201 2911.50 7.286 85 2907.84 7.276 166 2906.13 7.272 151 2905.27 7.270 123 2903.20 7.265 94 2902.10 7.262 113 2900.27 7.258 176 2899.29 7.255 223 2896.00 7.247 64 2895.14 7.245 63 2892.82 7.239 87 2890.75 7.234 47 1609.50 4.028 117 1605.22 4.017 132 1601.20 4.007 137 1596.92 3.996 134 1485.84 3.718 92 1481.69 3.708 93 1474.98 3.691 130 1470.83 3.681 119 1419.92 3.553 234 1411.62 3.533 227 1409.06 3.526 189 1400.76 3.505 166 1072.39 2.684 109
in CDCl3
KBr disc
nujol mull
(S)-(+)-2-Phenylglycinol(20989-17-7) IR2 Atlas of Related Products
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