Product Name3-Isochromanone
CAS4385-35-7
Molecular FormulaC9H8O2
Molecular Weight148.16
InChIInChI=1S/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
InChIKey ILHLUZUMRJQEAH-UHFFFAOYSA-N
SmilesC1(=O)OCC2=CC=CC=C2C1

Mass
MS-KW-0705 3-isochromanone C9H8O2 (Mass of molecular ion: 148)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.0
27.0 3.7
28.0 4.5
29.0 1.4
37.0 1.9
38.0 5.1
39.0 21.6
40.0 2.1
41.0 2.9
42.0 1.0
43.0 2.2
44.0 1.8
44.5 1.4
45.0 6.9
45.5 2.8
46.0 1.6
49.0 1.3
50.0 12.1
51.0 36.6
51.5 2.2
52.0 17.2
53.0 1.7
59.0 7.8
59.5 1.2
61.0 2.7
62.0 7.5
63.0 20.0
64.0 4.9
65.0 21.0
66.0 1.4
74.0 3.8
75.0 2.7
76.0 2.9
77.0 13.5
78.0 32.4
79.0 2.4
86.0 1.5
87.0 1.4
89.0 16.9
90.0 8.9
91.0 66.2
92.0 13.3
102.0 3.1
103.0 21.5
104.0 97.7
105.0 16.2
106.0 2.3
118.0 1.3
119.0 9.5
120.0 1.6
148.0 100.0
149.0 11.1
150.0 1.0
in CDCl3

in CDCl3




3-Isochromanone(4385-35-7) Raman Atlas of Related Products
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