产品名称 巴比妥钠
CAS号144-02-5
分子式C8H13N2NaO3
分子量208.19
InChIInChI=1S/C8H12N2O3.Na/c1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h3-4H2,1-2H3,(H2,9,10,11,12,13);/q;+1/p-1
InChIKeyRGHFKWPGWBFQLN-UHFFFAOYSA-M
SmilesC1(CC)(CC)C(=O)N=C([O-])NC1=O.[Na+]
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90 MHz in D2O
Assign. Shift(ppm) B 1.864 C 0.759 THE SOLVENT SIGNAL REMOVED.
Hz ppm Int.
179.31 2.003 97 171.44 1.915 382 164.00 1.832 436 157.06 1.754 155 75.06 0.839 487 67.81 0.758 1000 60.19 0.673 351
in D2O
KBr disc
nujol mull
4880 A,200 M,powder
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