ALLYL CAPRYLATE(4230-97-1) Raman
Product NameALLYL CAPRYLATE
CAS4230-97-1
Molecular FormulaC11H20O2
Molecular Weight184.28
InChIInChI=1S/C11H20O2/c1-3-5-6-7-8-9-11(12)13-10-4-2/h4H,2-3,5-10H2,1H3
InChIKey PZGMUSDNQDCNAG-UHFFFAOYSA-N
SmilesC(OCC=C)(=O)CCCCCCC
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MassMS2015-05138CW allyl octanoate C11H20O2 (Mass of molecular ion: 184)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
18.0 4.2 27.0 8.0 29.0 13.2 39.0 13.1 40.0 2.4 41.0 56.3 42.0 7.7 43.0 30.7 44.0 1.0 45.0 1.8 53.0 1.8 54.0 9.6 55.0 35.8 56.0 10.6 57.0 100.0 58.0 11.0 59.0 3.6 60.0 1.4 67.0 7.2 68.0 1.2 69.0 6.3 70.0 1.9 71.0 2.6 72.0 1.1 73.0 1.8 79.0 1.4 81.0 5.0 82.0 8.4 83.0 20.6 84.0 3.9 85.0 3.4 87.0 1.5 95.0 1.7 97.0 14.2 98.0 3.5 99.0 4.8 100.0 43.8 101.0 5.2 107.0 2.0 109.0 10.1 110.0 1.0 113.0 20.1 114.0 1.8 125.0 7.4 127.0 90.7 128.0 8.5 141.0 5.9 155.0 3.5
90 MHz in CDCl3
in CDCl3
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1H NMR 89.56 MHz C11 H20 O2 0.04 ml : 0.5 ml CDCl3 allyl octanoate 
Assign. Shift(ppm)
A 5.90 B 5.33 C 5.22 D 4.573 E 2.32 F 1.63 G 1.47 to 1.11 J 0.88
Hz ppm Int.551.06 6.153 54 545.44 6.091 108 541.00 6.041 70 539.94 6.029 67 535.38 5.978 122 533.81 5.961 94 530.00 5.918 78 528.19 5.898 164 523.81 5.849 127 522.75 5.837 113 518.13 5.786 214 512.81 5.726 150 485.31 5.419 93 483.88 5.403 222 483.44 5.398 198 482.06 5.383 354 480.63 5.367 169 474.44 5.298 140 473.25 5.285 295 472.06 5.271 183 471.44 5.264 204 470.31 5.252 102 468.13 5.227 76 466.63 5.211 169 464.81 5.190 171 463.25 5.173 237 462.63 5.166 120 462.00 5.159 130 461.44 5.153 193 460.25 5.140 103 413.50 4.618 320 412.25 4.604 541 411.00 4.590 334 409.50 4.573 54 408.06 4.557 292 406.75 4.542 533 405.38 4.527 313 216.69 2.420 145 215.63 2.408 142 213.31 2.382 40 209.06 2.335 380 204.81 2.287 36 201.38 2.249 327 146.31 1.634 124 115.88 1.294 1000 84.25 0.941 194 78.81 0.880 642 72.50 0.810 131
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in CDCl3
liquid film
4880 A,200 M,liquid
