(S)-(+)-4-Phenyl-2-oxazolidinone(99395-88-7) IR1
Product Name(S)-(+)-4-Phenyl-2-oxazolidinone
CAS99395-88-7
Molecular FormulaC9H9NO2
Molecular Weight163.17
InChIInChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)/t8-/m1/s1
InChIKey QDMNNMIOWVJVLY-MRVPVSSYSA-N
SmilesO1C[C@H](C2=CC=CC=C2)NC1=O
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MassMS-IW-9552 (S)-(+)-4-phenyl-2-oxazolidinone C9H9NO2 (Mass of molecular ion: 163)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 2.6 18.0 1.0 27.0 2.6 28.0 9.0 29.0 1.1 38.0 2.1 39.0 8.8 40.0 1.1 41.0 4.4 42.0 9.6 43.0 1.1 44.0 1.0 50.0 8.3 51.0 19.2 52.0 8.6 52.5 2.7 58.0 1.3 58.5 4.8 62.0 2.0 63.0 5.7 64.0 1.9 65.0 8.9 66.5 1.2 74.0 2.3 75.0 1.9 76.0 3.2 77.0 22.0 78.0 25.8 79.0 2.6 85.0 1.6 86.0 5.5 89.0 6.9 90.0 5.9 91.0 34.1 92.0 3.7 103.0 2.3 104.0 98.0 105.0 100.0 106.0 8.2 117.0 1.0 118.0 2.9 119.0 6.7 120.0 1.1 132.0 5.6 133.0 89.3 134.0 8.4 162.0 15.4 163.0 65.4 164.0 7.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H9 N O2 0.041 g : 0.5 ml CDCl3 (S)-(+)-4-phenyl-2-oxazolidinone 
Assign. Shift(ppm)
A 7.383 B 7.35 C 7.32 D 6.74 E 4.942 F 4.699 G 4.136
Hz ppm Int.2960.94 7.409 159 2959.11 7.405 262 2957.52 7.401 138 2954.47 7.393 213 2952.64 7.389 754 2950.81 7.384 502 2946.53 7.373 431 2945.19 7.370 889 2940.19 7.357 227 2938.60 7.353 436 2937.01 7.349 379 2934.33 7.343 136 2931.76 7.336 533 2928.10 7.327 1000 2926.27 7.323 960 2924.19 7.317 320 2921.51 7.311 317 2919.92 7.307 588 2693.60 6.740 231 2693.24 6.739 230 1983.28 4.963 222 1975.22 4.943 329 1967.41 4.923 273 1886.72 4.721 465 1878.17 4.700 839 1869.38 4.678 427 1661.01 4.157 485 1654.05 4.139 507 1652.34 4.135 482 1645.39 4.118 440
in CDCl3
KBr disc
nujol mull
