N-PHENYLCARBAMIC ACID METHYL ESTER(2603-10-3) IR1
Product NameN-PHENYLCARBAMIC ACID METHYL ESTER
CAS2603-10-3
Molecular FormulaC8H9NO2
Molecular Weight151.16
InChIInChI=1S/C8H9NO2/c1-11-8(10)9-7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)
InChIKey IAGUPODHENSJEZ-UHFFFAOYSA-N
SmilesC(OC)(=O)NC1=CC=CC=C1
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MassMS-NW-8016 methyl phenylcarbamate C8H9NO2 (Mass of molecular ion: 151)
Source Temperature: 130 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 22.5 18.0 4.6 26.0 1.0 27.0 3.0 28.0 2.6 29.0 4.0 30.0 2.1 31.0 5.4 32.0 2.8 37.0 3.7 38.0 8.8 39.0 26.1 40.0 3.2 41.0 3.0 50.0 5.3 51.0 12.3 52.0 5.2 53.0 1.1 59.0 19.5 61.0 1.5 62.0 2.9 63.0 11.3 64.0 15.6 65.0 45.8 66.0 5.7 74.0 1.4 76.0 1.3 77.0 22.0 78.0 4.8 79.0 12.3 80.0 3.8 90.0 2.2 91.0 20.8 92.0 33.5 93.0 7.4 94.0 6.0 104.0 1.0 106.0 75.5 107.0 7.5 108.0 1.2 119.0 54.7 120.0 12.5 121.0 1.3 135.0 2.8 150.0 1.2 151.0 100.0 152.0 12.0 153.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C8 H9 N O2 0.033 g : 0.5 ml CDCl3 methyl phenylcarbamate 
Assign. Shift(ppm)
A 7.380 B 7.295 C 7.058 D 6.79 E 3.765
Hz ppm Int.2954.47 7.393 73 2946.53 7.373 111 2924.80 7.319 29 2923.22 7.315 174 2921.02 7.309 54 2915.77 7.296 212 2909.06 7.280 54 2907.23 7.275 133 2905.27 7.270 21 2828.98 7.079 44 2827.76 7.076 72 2826.54 7.073 41 2820.43 7.058 121 2814.21 7.042 31 2813.11 7.039 54 2811.89 7.036 35 2714.60 6.793 31 1504.64 3.765 1000
in CDCl3
KBr disc
nujol mull
