4-Hydroxyheptanophenone(14392-72-4) MS
Product Name4-Hydroxyheptanophenone
CAS14392-72-4
Molecular FormulaC13H18O2
Molecular Weight206.28
InChIInChI=1S/C13H18O2/c1-2-3-4-5-6-13(15)11-7-9-12(14)10-8-11/h7-10,14H,2-6H2,1H3
InChIKey MAZPQHJYGKZQEA-UHFFFAOYSA-N
SmilesC(C1=CC=C(O)C=C1)(=O)CCCCCC
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MassMS-IW-7596 4'-hydroxyheptanophenone C13H18O2 (Mass of molecular ion: 206)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 3.7 27.0 2.0 29.0 1.9 39.0 5.3 41.0 3.6 43.0 2.1 53.0 1.0 55.0 3.0 63.0 1.3 64.0 1.2 65.0 10.3 66.0 1.4 77.0 1.6 79.0 1.3 92.0 1.5 93.0 12.0 94.0 5.2 107.0 1.8 120.0 1.1 121.0 100.0 122.0 8.1 123.0 1.4 131.0 1.2 136.0 87.0 137.0 7.8 149.0 9.5 150.0 1.0 159.0 1.2 188.0 1.1 206.0 7.8 207.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H18 O2 0.042 g : 0.5 ml CDCl3 4'-hydroxyheptanophenone 
Assign. Shift(ppm)
A 8.20 B 7.922 C 6.974 D 2.943 E 1.725 F 1.36 G 1.294 J 0.869
Hz ppm Int.3279.05 8.205 748 3173.46 7.941 80 3170.65 7.934 695 3168.70 7.929 220 3163.82 7.917 225 3161.87 7.912 754 3159.06 7.905 91 2794.31 6.992 91 2791.50 6.985 818 2789.43 6.980 239 2784.67 6.968 233 2782.59 6.963 793 2779.79 6.956 91 1184.20 2.964 388 1176.76 2.945 502 1169.19 2.926 429 704.96 1.764 71 697.75 1.746 184 690.06 1.727 290 682.62 1.709 213 675.05 1.690 106 562.62 1.408 38 561.16 1.405 33 555.91 1.391 119 554.20 1.387 114 548.34 1.373 169 546.75 1.369 158 543.33 1.360 127 541.50 1.355 130 539.92 1.351 144 534.30 1.337 100 533.08 1.334 88 530.88 1.329 78 525.76 1.316 179 521.97 1.307 453 519.04 1.299 443 515.01 1.289 499 511.23 1.280 306 507.69 1.271 149 502.81 1.259 40 354.13 0.887 331 352.17 0.882 187 350.83 0.878 223 347.17 0.869 1000 341.55 0.855 194 340.09 0.851 288 337.28 0.844 63
in CDCl3
KBr disc
nujol mull
