4-HYDROXYBENZOIC ACID N-NONYL ESTER(38713-56-3) 13C NMR
Product Name4-HYDROXYBENZOIC ACID N-NONYL ESTER
CAS38713-56-3
Molecular FormulaC16H24O3
Molecular Weight264.36
InChIInChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-13-19-16(18)14-9-11-15(17)12-10-14/h9-12,17H,2-8,13H2,1H3
InChIKey MBNSKHJDYXPONL-UHFFFAOYSA-N
SmilesC(OCCCCCCCCC)(=O)C1=CC=C(O)C=C1
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Assign. Shift(ppm)
A 7.95 B 6.90 C 6.90 D 4.293 E 1.76 F 1.55 to 1.12 G 0.88Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
167.76 638 1 160.95 950 2 132.01 1000 3 122.09 765 4 115.46 864 5 65.45 367 6 31.89 498 7 29.51 538 8 * 29.29 751 9 * 10 28.74 443 11 26.06 466 12 22.69 502 13 14.11 425 14Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,powder
