2-Pentylfuran(3777-69-3) IR1
Product Name2-Pentylfuran
CAS3777-69-3
Molecular FormulaC9H14O
Molecular Weight138.21
InChIInChI=1S/C9H14O/c1-2-3-4-6-9-7-5-8-10-9/h5,7-8H,2-4,6H2,1H3
InChIKey YVBAUDVGOFCUSG-UHFFFAOYSA-N
SmilesO1C=CC=C1CCCCC
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MassMS-IW-7360 2-pentylfuran C9H14O (Mass of molecular ion: 138)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 7.1 29.0 4.3 39.0 5.8 41.0 6.6 43.0 1.3 51.0 2.1 52.0 1.5 53.0 13.1 54.0 2.2 55.0 1.8 57.0 1.2 65.0 1.4 67.0 3.5 68.0 3.0 69.0 1.0 77.0 1.2 79.0 1.7 81.0 100.0 82.0 26.3 83.0 3.2 94.0 4.2 95.0 5.4 96.0 1.9 109.0 2.3 123.0 1.3 138.0 18.4 139.0 1.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H14 O 0.05 ml : 0.5 ml CDCl3 2-pentylfuran 
Assign. Shift(ppm)
A 7.277 B 6.258 C 5.958 D 2.808 E 1.633 F 1.33 G 0.895
Hz ppm Int.2909.91 7.282 373 2909.06 7.280 390 2908.08 7.277 389 2907.23 7.275 371 2503.78 6.265 282 2501.95 6.261 296 2500.73 6.258 307 2498.78 6.253 285 2384.03 5.966 151 2383.18 5.964 354 2382.32 5.962 356 2381.35 5.959 185 2380.98 5.958 176 2380.00 5.956 329 2379.15 5.954 332 2378.30 5.951 143 1048.71 2.625 271 1048.34 2.624 272 1040.89 2.605 449 1033.08 2.585 291 668.33 1.673 69 666.38 1.668 43 663.33 1.660 65 661.01 1.654 183 659.30 1.650 107 658.33 1.648 113 656.01 1.642 109 653.56 1.636 227 653.08 1.635 220 651.25 1.630 139 649.41 1.625 95 648.07 1.622 104 646.85 1.619 129 645.87 1.617 176 643.80 1.611 85 643.07 1.610 78 640.87 1.604 48 638.55 1.598 77 547.36 1.370 34 546.02 1.367 40 543.33 1.360 67 541.99 1.357 69 538.57 1.348 161 535.52 1.340 499 531.74 1.331 405 530.40 1.328 308 529.91 1.326 314 528.20 1.322 645 524.90 1.314 319 521.00 1.304 233 517.58 1.296 86 515.38 1.290 55 512.57 1.283 42 367.43 0.920 68 364.62 0.913 371 362.30 0.907 198 359.50 0.900 330 357.54 0.895 1000 355.10 0.889 205 352.29 0.882 206 350.34 0.877 325 347.90 0.871 71 345.46 0.865 38
in CDCl3
liquid film
