BENZYLOXYUREA(2048-50-2) IR1
Product NameBENZYLOXYUREA
CAS2048-50-2
Molecular FormulaC8H10N2O2
Molecular Weight166.18
InChIInChI=1S/C8H10N2O2/c9-8(11)10-12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
InChIKey IXRIVZOKBPYSPK-UHFFFAOYSA-N
SmilesN(OCC1=CC=CC=C1)C(N)=O
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MassMS-NW-7124 (benzyloxy)urea C8H10N2O2 (Mass of molecular ion: 166)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.3 18.0 3.4 27.0 1.1 29.0 1.2 39.0 3.5 43.0 2.4 44.0 3.9 50.0 2.3 51.0 6.1 52.0 1.5 60.0 1.2 63.0 1.5 65.0 8.3 77.0 9.4 78.0 1.8 79.0 5.1 89.0 1.4 90.0 1.1 91.0 100.0 92.0 8.0 105.0 3.5 106.0 2.8 107.0 3.4 108.0 4.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C8 H10 N2 O2 0.056 g : 0.5 ml DMSO-d6 (benzyloxy)urea 
Assign. Shift(ppm)
A 9.07 B 7.416 C 7.37 D 7.32 E 6.38 F 4.729
Hz ppm Int.3623.41 9.067 358 2970.34 7.433 169 2968.63 7.429 226 2962.28 7.413 385 2960.82 7.409 400 2954.96 7.394 33 2952.64 7.389 149 2950.44 7.383 185 2948.85 7.379 107 2946.29 7.373 97 2944.09 7.367 459 2938.23 7.353 140 2936.40 7.348 283 2933.84 7.342 245 2932.01 7.337 147 2929.93 7.332 79 2926.88 7.324 164 2923.10 7.315 38 2921.51 7.311 34 2919.92 7.307 46 2918.33 7.303 30 2550.66 6.383 293 1890.14 4.730 1000
DMSO-d6
KBr disc
nujol mull
4880 A,200 M,powder
