产品名称:2-苯基乙酰基乙腈
CAS:4468-48-8
分子式:C10H9NO
分子量: 159.19
InChI:InChI=1S/C10H9NO/c1-8(12)10(7-11)9-5-3-2-4-6-9/h2-6,10H,1H3
InChIKey: KHNWFTMUBKJWRZ-UHFFFAOYSA-N
Smiles:C(C1C=CC=CC=1)(C#N)C(=O)C
MS
1HNMR
13CNMR
IR1
IR2
Mass
MS-IW-2754 2-phenylacetoacetonitrile C10H9NO (Mass of molecular ion: 159)
Source Temperature: 200 °C Sample Temperature: 160 °C Reservoir, 75 eV
15.0 3.7 27.0 1.1 28.0 1.0 38.0 1.9 39.0 6.9 42.0 1.0 43.0 92.7 44.0 2.7 50.0 4.1 51.0 5.6 52.0 1.4 61.0 1.3 62.0 3.7 63.0 9.5 64.0 3.3 65.0 2.0 74.0 1.4 75.0 1.3 76.0 1.4 77.0 4.6 87.0 1.4 88.0 2.5 89.0 17.6 90.0 18.5 91.0 2.1 105.0 3.9 114.0 1.2 115.0 1.5 116.0 16.1 117.0 100.0 118.0 9.5 122.0 1.0 149.0 1.0 159.0 6.4
400 MHz in DMSO-d6
Assign. Shift(ppm) A 11.7 B 7.646 C 7.361 D 7.206 E 2.355
Hz ppm Int.
3061.07 7.660 159 3059.84 7.657 194 3057.86 7.652 64 3052.52 7.638 211 3051.45 7.636 194 3049.47 7.631 40 2951.35 7.385 34 2949.83 7.382 136 2947.85 7.377 63 2942.35 7.363 218 2935.94 7.347 65 2934.11 7.342 150 2932.28 7.338 32 2887.88 7.227 46 2886.66 7.223 84 2885.44 7.220 49 2880.86 7.209 46 2879.33 7.205 125 2877.66 7.201 45 2873.08 7.189 33 2871.86 7.186 55 2870.79 7.184 31 941.16 2.355 1000
in DMSO-d6
KBr disc
nujol mull
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2-苯基乙酰基乙腈(4468-48-8)红外图谱(IR2)相关产品图谱