Product Name3-Methoxybenzaldehyde
CAS591-31-1
Molecular FormulaC8H8O2
Molecular Weight136.15
InChIInChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
InChIKey WMPDAIZRQDCGFH-UHFFFAOYSA-N
SmilesC(=O)C1=CC=CC(OC)=C1

Mass
MS-NW-0750 m-methoxybenzaldehyde C8H8O2 (Mass of molecular ion: 136)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.1
27.0 1.0
28.0 2.6
29.0 2.3
37.0 1.6
38.0 4.5
39.0 10.3
50.0 6.8
51.0 8.2
52.0 1.2
53.0 1.4
61.0 1.3
62.0 3.3
63.0 10.4
64.0 10.3
65.0 16.4
66.0 1.2
74.0 3.1
75.0 2.4
76.0 4.3
77.0 29.9
78.0 7.7
79.0 3.6
92.0 14.7
93.0 2.8
105.0 3.1
106.0 1.2
107.0 33.7
108.0 4.8
135.0 88.0
136.0 100.0
137.0 9.0
138.0 1.0
90 MHz in CDCl3

| 1H NMR | 89.56 MHz |
| C8 H8 O2 | 0.04 ml : 0.5 ml CDCl3 |
| m-methoxybenzaldehyde | |
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Assign. Shift(ppm) |
Hz ppm Int.
892.52 9.966 390
669.41 7.475 113
668.98 7.470 97
668.38 7.463 105
665.65 7.433 83
664.54 7.421 162
663.51 7.409 175
662.06 7.393 79
660.86 7.379 86
659.92 7.369 85
658.98 7.358 43
650.70 7.266 23
647.19 7.227 72
644.46 7.196 49
643.09 7.181 43
641.98 7.169 33
639.59 7.142 38
638.31 7.128 27
635.14 7.092 25
344.96 3.852 1000
in CDCl3

CCl4 solution

liquid film


3-Methoxybenzaldehyde(591-31-1) Raman Atlas of Related Products
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