1-Hexaneboronic acid(16343-08-1) IR1
Product Name1-Hexaneboronic acid
CAS16343-08-1
Molecular FormulaC6H15BO2
Molecular Weight129.99
InChIInChI=1S/C6H15BO2/c1-3-4-5-6(2)7(8)9/h6,8-9H,3-5H2,1-2H3
InChIKey UEJXLUYRKTWOMH-UHFFFAOYSA-N
SmilesCC(B(O)O)CCCC
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C6 H15 B O2 0.032 g : 0.5 ml DMSO-d6 hexyldihydroxyborane 
Assign. Shift(ppm)
A 7.33 B 1.30 C 1.23 D 0.856 E 0.567
Hz ppm Int.2932.86 7.339 46 537.84 1.346 37 536.74 1.344 40 536.38 1.343 40 530.52 1.328 119 527.95 1.322 110 523.56 1.311 190 515.87 1.291 197 508.30 1.272 191 507.32 1.270 196 502.32 1.257 221 500.24 1.252 279 491.21 1.230 628 483.76 1.211 251 479.00 1.199 117 474.24 1.187 31 348.88 0.873 391 342.16 0.857 1000 335.08 0.839 405 234.50 0.587 277 226.93 0.568 392 219.24 0.549 274
KBr disc
nujol mull
