DIETHYLSTILBESTROL DISODIUM SALT(63528-82-5) IR2
Product NameDIETHYLSTILBESTROL DISODIUM SALT
CAS63528-82-5
Molecular FormulaC18H18Na2O2
Molecular Weight312.31
InChIInChI=1S/C18H20O2.2Na/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14;;/h5-12,19-20H,3-4H2,1-2H3;;/q;2*+1/p-2/b18-17+;;
InChIKey IEUYBHJGPUETDA-QIKYXUGXSA-L
SmilesC(/CC)(\C1C=CC([O-])=CC=1)=C(\CC)/C1C=CC([O-])=CC=1.[Na+].[Na+]
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C18 H18 Na2 O2 saturated in DMSO-d6 3,4-bis(p-hydroxyphenyl)-3-hexene disodium salt 
Assign. Shift(ppm)
A 6.960 B 6.764 C 2.074 D 0.712
Hz ppm Int.2786.62 6.973 570 2778.08 6.952 713 2707.28 6.775 685 2698.73 6.753 595 840.33 2.103 105 833.01 2.085 317 825.68 2.067 332 818.36 2.048 124 291.99 0.731 458 284.67 0.713 1000 277.22 0.694 457
DMSO-d6
KBr disc
nujol mull
