产品名称 异烟酸钠
CAS号16887-79-9
分子式C6H4NO2.Na
分子量145.09
InChIInChI=1S/C6H5NO2.Na/c8-6(9)5-1-3-7-4-2-5;/h1-4H,(H,8,9);/q;+1/p-1
InChIKeyPVXCGWNPDFFPOV-UHFFFAOYSA-M
SmilesC1(C([O-])=O)=CC=NC=C1.[Na+]
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400 MHz in D2O
Assign. Shift(ppm) A 8.61 B 7.746 SOLVENT PEAK REMOVED
Hz ppm Int.
3440.31 8.609 413 3098.63 7.754 1000 3092.65 7.739 965
in D2O
KBr disc
nujol mull
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