Sucrose octaacetate(126-14-7) IR1
Product NameSucrose octaacetate
CAS126-14-7
Molecular FormulaC28H38O19
Molecular Weight678.59
InChIInChI=1/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3/t20-,21-,22-,23-,24+,25-,26+,27-,28+/s3
InChIKey ZIJKGAXBCRWEOL-RHAXOHLKNA-N
SmilesO([C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)[C@@]1(O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)COC(=O)C |&1:1,3,9,14,19,24,26,32,37,r|
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Assign. Shift(ppm)
A 5.691 B 5.452 C 5.450 D 5.374 E 5.080 F 4.877 G 4.33 J 4.30 K 4.22 L 4.174 M 4.16 N *1 2.179 P *1 2.119 Q *1 2.113 R *1 2.102 S *1 2.101 T *1 2.047 U *1 2.020 ASSIGNED BY H-H COSYSpectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
170.64 112 1 * 170.42 140 2 * 170.06 297 3 * 4 * 169.98 209 5 * 169.84 176 6 * 169.62 169 7 * 169.47 213 8 * 104.09 260 9 90.08 307 10 79.23 307 11 75.87 350 12 75.16 331 13 70.40 304 14 # 69.76 305 15 # 68.62 292 16 # 68.40 282 17 # 63.71 319 18 63.00 260 19 61.86 295 20 20.60 1000 21 ASSIGNED BY C-H COSY.Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : nujol mull
