SALICYLIC ACID N-PROPYL ESTER(607-90-9) IR2
Product NameSALICYLIC ACID N-PROPYL ESTER
CAS607-90-9
Molecular FormulaC10H12O3
Molecular Weight180.2
InChIInChI=1S/C10H12O3/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6,11H,2,7H2,1H3
InChIKey LZFIOSVZIQOVFW-UHFFFAOYSA-N
SmilesC(OCCC)(=O)C1=CC=CC=C1O
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MassMS-NW-0814 propyl salicylate C10H12O3 (Mass of molecular ion: 180)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.7 28.0 1.0 38.0 1.3 39.0 8.0 41.0 4.8 43.0 4.6 53.0 1.9 63.0 3.6 64.0 4.3 65.0 10.4 92.0 20.4 93.0 6.2 120.0 100.0 121.0 26.2 122.0 2.3 138.0 15.7 139.0 1.3 180.0 20.9 181.0 2.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H12 O3 0.05 ml : 0.5 ml CDCl3 propyl salicylate 
Assign. Shift(ppm)
A 10.86 B 7.832 C 7.418 D 6.959 E 6.848 F 4.281 G 1.785 J 1.021
Hz ppm Int.4340.66 10.862 668 3135.38 7.846 194 3135.07 7.845 194 3133.70 7.842 197 3133.24 7.840 197 3127.44 7.826 201 3126.98 7.825 201 3125.61 7.821 201 3125.31 7.821 201 2972.41 7.438 98 2971.04 7.435 99 2965.24 7.420 121 2964.02 7.417 173 2962.65 7.414 120 2956.85 7.399 114 2955.47 7.396 108 2785.95 6.971 223 2785.19 6.970 232 2784.73 6.968 215 2777.56 6.950 207 2776.79 6.949 210 2776.34 6.947 196 2745.06 6.869 171 2743.99 6.866 161 2737.88 6.851 186 2737.12 6.849 217 2735.90 6.846 178 2729.95 6.831 151 2728.73 6.828 152 1717.83 4.299 433 1711.12 4.282 787 1704.41 4.265 442 731.35 1.830 55 724.64 1.814 132 723.88 1.812 186 717.16 1.795 342 716.55 1.793 247 709.84 1.777 353 703.13 1.760 188 702.51 1.758 147 695.80 1.742 59 415.19 1.039 610 407.87 1.021 1000 400.24 1.002 543
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
