4-Propylphenol(645-56-7) 1H NMR
Product Name4-Propylphenol
CAS645-56-7
Molecular FormulaC9H12O
Molecular Weight136.19
InChIInChI=1S/C9H12O/c1-2-3-8-4-6-9(10)7-5-8/h4-7,10H,2-3H2,1H3
InChIKey KLSLBUSXWBJMEC-UHFFFAOYSA-N
SmilesC1(O)=CC=C(CCC)C=C1
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MassMS-NW-1571 p-propylphenol C9H12O (Mass of molecular ion: 136)
Source Temperature: 240 °C Sample Temperature: 170 °C Reservoir, 75 eV
27.0 2.7 39.0 4.2 41.0 1.5 50.0 1.0 51.0 2.8 52.0 1.3 53.0 1.9 55.0 1.3 63.0 1.3 65.0 2.1 77.0 8.6 78.0 2.2 79.0 1.8 91.0 1.5 94.0 1.0 107.0 100.0 108.0 7.5 136.0 24.8 137.0 2.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H12 O 19.4 mg : 0.5 ml CDCl3 p-propylphenol 
Assign. Shift(ppm)
A 7.034 B 6.747 C 4.92 D 2.507 E 1.589 F 0.918
Hz ppm Int.2819.09 7.054 30 2816.28 7.047 312 2815.67 7.046 249 2814.09 7.042 125 2809.81 7.031 120 2809.20 7.030 101 2808.23 7.027 265 2807.62 7.026 393 2805.30 7.020 61 2804.81 7.019 66 2703.74 6.766 47 2700.93 6.759 463 2698.73 6.753 163 2696.04 6.747 33 2694.46 6.743 139 2692.26 6.737 413 2689.45 6.730 64 1967.53 4.924 203 1009.77 2.527 178 1002.32 2.508 231 996.95 2.495 32 996.58 2.494 32 994.51 2.489 204 655.15 1.640 41 647.71 1.621 150 640.26 1.603 213 639.16 1.600 104 633.91 1.587 83 632.69 1.584 242 631.71 1.581 120 626.71 1.569 42 625.12 1.565 163 617.92 1.547 51 374.15 0.937 479 371.70 0.931 36 366.82 0.918 1000 362.18 0.907 39 361.94 0.906 39 361.08 0.904 44 359.38 0.900 439
in CDCl3
CCl4 solution
liquid film
