苯丙酸乙酯(2216-94-6)Raman光譜
InChI:InChI=1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2H2,1H3
InChIKey: ACJOYTKWHPEIHW-UHFFFAOYSA-N
Smiles:C(OCC)(=O)C#CC1=CC=CC=C1
-
Mass
MS-NW-5442
ethyl phenylpropiolate
C11H10O2 (Mass of molecular ion: 174)
Source Temperature: 240 °C
Sample Temperature: 190 °C
Reservoir, 75 eV
26.0 1.1
27.0 4.5
28.0 2.3
29.0 3.6
39.0 2.7
44.0 1.0
50.0 3.4
51.0 11.0
52.0 1.3
61.0 1.2
62.0 2.3
63.0 3.4
73.0 1.1
74.0 7.3
75.0 18.9
76.0 3.3
77.0 3.2
89.0 2.7
98.0 1.5
100.0 1.0
101.0 8.3
102.0 75.6
103.0 7.3
118.0 2.5
129.0 100.0
130.0 17.3
131.0 2.6
146.0 1.8
174.0 13.3
175.0 1.8
400 MHz in CDCl3
90 MHz in CDCl3
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| 1H NMR |
399.65 MHz |
| C11 H10 O2
|
0.05 ml : 0.5 ml CDCl3
|
| ethyl phenylpropiolate
|
 |
Assign. Shift(ppm)
A 7.575
B 7.432
C 7.365
D 4.291
E 1.346
90MHZ : HSP-03-433
|
Hz ppm Int.
3034.06 7.592 41
3032.10 7.587 198
3030.76 7.584 274
3029.30 7.580 155
3026.00 7.572 88
3023.80 7.567 363
3022.34 7.563 317
2981.08 7.460 32
2979.61 7.456 61
2978.27 7.453 43
2974.73 7.444 46
2972.29 7.438 152
2971.80 7.437 136
2969.97 7.432 67
2966.19 7.422 96
2964.72 7.419 165
2963.38 7.415 93
2951.29 7.385 59
2950.07 7.382 174
2949.34 7.380 253
2948.00 7.377 136
2943.12 7.365 180
2941.65 7.361 318
2940.06 7.357 122
2936.16 7.347 59
2934.69 7.344 145
2933.35 7.340 95
1725.83 4.319 156
1718.63 4.301 482
1711.43 4.283 501
1704.35 4.265 174
545.17 1.365 498
537.96 1.347 1000
533.69 1.336 35
530.88 1.329 514
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| 1H NMR |
89.56 MHz |
| C11 H10 O2
|
0.04 ml : 0.5 ml CDCl3
|
| ethyl phenylpropiolate
|
|
Assign. Shift(ppm)
A 7.58
B 7.48 to 7.20
C 4.291
D 1.350
|
Hz ppm Int.
684.25 7.641 128
682.19 7.618 171
680.69 7.601 51
679.19 7.584 116
677.81 7.569 161
677.25 7.562 157
674.38 7.530 335
673.38 7.519 76
672.94 7.514 81
671.06 7.493 41
668.88 7.469 92
667.81 7.457 87
667.13 7.449 93
666.44 7.442 88
664.13 7.416 389
662.38 7.396 307
661.63 7.388 241
659.63 7.366 101
658.69 7.355 121
657.88 7.346 123
656.69 7.333 165
653.81 7.301 31
652.00 7.281 45
650.56 7.264 77
395.38 4.415 135
388.19 4.335 464
381.06 4.255 493
373.94 4.176 160
128.00 1.430 500
120.81 1.349 1000
113.75 1.271 444