4-Acetoxybenzoic acid(2345-34-8) 1H NMR
Product Name4-Acetoxybenzoic acid
CAS2345-34-8
Molecular FormulaC9H8O4
Molecular Weight180.16
InChIInChI=1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey GDBUZIKSJGRBJP-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(OC(C)=O)C=C1
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MassMS-NW-1655 p-acetoxybenzoic acid C9H8O4 (Mass of molecular ion: 180)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
14.0 1.8 15.0 7.1 17.0 1.5 18.0 7.8 27.0 3.2 28.0 3.0 37.0 1.3 38.0 4.3 39.0 8.7 42.0 3.3 43.0 79.8 44.0 1.8 45.0 1.6 50.0 2.7 51.0 1.8 53.0 2.9 55.0 1.1 61.0 1.0 62.0 2.6 63.0 6.8 64.0 3.6 65.0 10.3 66.0 1.1 74.0 1.1 75.0 1.0 81.0 4.1 92.0 2.0 93.0 7.6 94.0 1.0 109.0 1.1 120.0 1.1 121.0 64.4 122.0 5.0 138.0 100.0 139.0 7.7 180.0 13.0 181.0 1.3
KBr disc
nujol mull
4880 A,200 M,powder
