4-N-BUTYLBENZOIC ACID 4-ETHOXYPHENYL ESTER(62716-65-8) IR1
Product Name4-N-BUTYLBENZOIC ACID 4-ETHOXYPHENYL ESTER
CAS62716-65-8
Molecular FormulaC19H22O3
Molecular Weight298.38
InChIInChI=1S/C19H22O3/c1-3-5-6-15-7-9-16(10-8-15)19(20)22-18-13-11-17(12-14-18)21-4-2/h7-14H,3-6H2,1-2H3
InChIKey DDDWTNWRNNRWNQ-UHFFFAOYSA-N
SmilesC(OC1=CC=C(OCC)C=C1)(=O)C1=CC=C(CCCC)C=C1
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Assign. Shift(ppm)
A 8.09 B 7.29 C 7.09 D 6.92 E 4.021 F 2.68 G 1.64 J 1.412 K 1.36 L 0.94Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
165.52 365 1 156.66 435 2 149.14 625 3 144.47 440 4 130.21 920 5 128.61 910 6 127.20 530 7 122.46 1000 8 115.09 985 9 63.82 425 10 35.77 440 11 33.27 460 12 22.33 425 13 14.85 335 14 13.90 395 15Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : nujol mull
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Spectral Code: Raman : 4880 A,200 M,powder
