Back ChemicalBook Home>CAS DataBase List>1926-86-9More Spectrum> 6-AMINO-N-HEXANOIC ACID N-HEXYL ESTER P-TOLUENESULFONATE(1926-86-9) IR1
6-AMINO-N-HEXANOIC ACID N-HEXYL ESTER P-TOLUENESULFONATE(1926-86-9) IR1
Molecular FormulaC19H33NO5S
Molecular Weight387.53
InChIInChI=1S/C12H25NO2.C7H8O3S/c1-2-3-4-8-11-15-12(14)9-6-5-7-10-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,13H2,1H3;2-5H,1H3,(H,8,9,10)
InChIKey RVALTWBPTNLNAV-UHFFFAOYSA-N
SmilesC1(S(=O)(=O)O)C=CC(C)=CC=1.O(CCCCCC)C(=O)CCCCCN
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Assign. Shift(ppm)
A 7.74 B 7.65 C 7.19 D 4.022 E 2.76 F 2.362 G 2.14 J 1.52 K 1.31 L 0.89Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
173.42 572 1 141.48 358 2 140.73 612 3 129.09 1000 4 125.95 915 5 64.48 517 6 39.78 284 7 33.92 443 8 31.47 517 9 28.65 478 10 27.08 363 11 * 25.89 398 12 25.62 522 13 * 24.28 433 14 22.55 557 15 21.30 428 16 14.00 438 17Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
