4-Hydroxybenzaldehyde(123-08-0) Raman
Product Name4-Hydroxybenzaldehyde
CAS123-08-0
Molecular FormulaC7H6O2
Molecular Weight122.12
InChIInChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChIKey RGHHSNMVTDWUBI-UHFFFAOYSA-N
SmilesC(=O)C1=CC=C(O)C=C1
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MassMS-NW-4787 p-hydroxybenzaldehyde C7H6O2 (Mass of molecular ion: 122)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
18.0 1.7 26.0 1.2 27.0 2.0 28.0 2.0 29.0 3.9 37.0 3.5 38.0 6.3 39.0 30.1 40.0 3.6 47.0 2.2 49.0 1.0 50.0 4.6 51.0 3.9 53.0 5.0 55.0 2.3 61.0 2.2 62.0 3.7 63.0 7.4 64.0 3.4 65.0 42.0 66.0 6.1 74.0 2.2 75.0 1.5 92.0 1.9 93.0 41.1 94.0 5.6 121.0 100.0 122.0 92.7 123.0 6.9 140.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H6 O2 0.037 g : 0.5 ml DMSO-d6 p-hydroxybenzaldehyde 
Assign. Shift(ppm)
A 10.6 B 9.815 C 7.789 D 6.965
Hz ppm Int.4256.24 10.650 145 3922.69 9.816 1000 3120.06 7.807 105 3117.49 7.801 867 3115.48 7.796 263 3110.72 7.784 268 3108.89 7.780 844 3106.14 7.773 115 2790.54 6.983 97 2787.98 6.977 791 2785.96 6.972 254 2781.20 6.960 235 2779.19 6.955 787 2776.62 6.948 101
in DMSO-d6
in CDCl3
KBr disc
nujol mull
