Sodium sulfamethoxazole(4563-84-2) IR2
Product NameSodium sulfamethoxazole
CAS4563-84-2
Molecular FormulaC10H12N3NaO3S
Molecular Weight277.27
InChIInChI=1S/C10H12N3O3S.Na/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6,17H,11H2,1H3,(H-,12,13,14,15);/q-1;+1
InChIKey BFZOTUFZDLEIPB-UHFFFAOYSA-N
SmilesC1=C(N)C=CC(S(=O)(N([Na])C2C=C(C)ON=2)O)=C1
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C10 H10 N3 Na O3 S 0.036 g : 0.5 ml DMSO-d6 N-(5-methyl-3-isoxazolyl)sulfanilamide monosodium salt 
Assign. Shift(ppm)
A 7.346 B 6.458 C 5.684 D 5.36 E 2.092 J(C,E)=0.9HZ
Hz ppm Int.2942.87 7.364 37 2940.43 7.358 361 2938.48 7.353 113 2936.16 7.347 24 2933.72 7.341 111 2931.76 7.336 390 2929.20 7.330 55 2587.65 6.475 44 2585.08 6.469 409 2583.13 6.464 123 2578.37 6.452 114 2576.42 6.447 383 2573.85 6.441 54 2272.58 5.687 370 2271.61 5.684 355 2140.75 5.357 315 836.43 2.093 1000 835.57 2.091 932
in DMSO-d6
KBr disc
nujol mull
