5-PHENOXY-N-VALERIC ACID(7170-40-3) 13C NMR
Product Name5-PHENOXY-N-VALERIC ACID
CAS7170-40-3
Molecular FormulaC11H14O3
Molecular Weight194.23
InChIInChI=1S/C11H14O3/c12-11(13)8-4-5-9-14-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13)
InChIKey YYEBMOCMHWICRI-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCOC1=CC=CC=C1
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MassMS-KW-0943 5-phenoxyvaleric acid C11H14O3 (Mass of molecular ion: 194)
Source Temperature: 240 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 4.1 26.0 1.0 27.0 5.0 28.0 2.6 29.0 5.0 31.0 1.3 38.0 1.5 39.0 10.0 40.0 2.8 41.0 5.4 42.0 3.5 43.0 5.7 45.0 2.9 50.0 1.9 51.0 5.4 53.0 2.0 54.0 1.2 55.0 18.4 56.0 2.9 57.0 1.6 59.0 6.1 63.0 1.9 65.0 8.5 66.0 7.3 77.0 8.7 79.0 1.2 82.0 1.7 83.0 10.8 91.0 9.3 92.0 6.0 93.0 1.2 94.0 100.0 95.0 7.1 101.0 27.5 102.0 1.6 107.0 1.5 194.0 3.8
in CDCl3
in CDCl3
KBr disk
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