4-Pentyloxybenzoic acid (15872-41-0) IR2
Product Name4-Pentyloxybenzoic acid
CAS15872-41-0
Molecular FormulaC12H16O3
Molecular Weight208.25
InChIInChI=1S/C12H16O3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)
InChIKey OZPPUPJQRJYTNY-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(OCCCCC)C=C1
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MassMS2002-01289WA 4-amyloxybenzoic acid C12H16O3 (Mass of molecular ion: 208)
Source Temperature: 250 °C Sample Temperature: 270 °C Reservoir, 70 eV
27.0 3.2 29.0 4.5 39.0 4.2 41.0 7.5 42.0 3.1 43.0 21.0 50.0 1.1 51.0 1.2 53.0 1.3 55.0 6.4 63.0 1.6 64.0 1.1 65.0 7.0 70.0 4.8 71.0 3.1 75.0 1.0 76.0 1.3 77.0 1.2 81.0 1.9 92.0 1.0 93.0 3.1 95.0 1.5 121.0 34.1 122.0 2.7 138.0 100.0 139.0 16.3 140.0 1.5 151.0 1.9 208.0 25.0 209.0 3.4
KBr disk
Nujol
