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Product NameSodium 4-hydroxybenzoate
CAS114-63-6
Molecular FormulaC7H5NaO3
Molecular Weight160.1
InChIInChI=1S/C7H6O3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
InChIKey ZLVSYODPTJZFMK-UHFFFAOYSA-M
SmilesC1(C=CC(O)=CC=1)C([O-])=O.[Na+]
1HNMR
13CNMR
IR1
IR2
400 MHz in DMSO-d6
Assign. Shift(ppm) A 7.796 B 6.731
Hz ppm Int.
3120.24 7.808 919 3111.82 7.787 1000 2694.75 6.743 991 2686.14 6.722 1000
in DMSO-d6
in D2O
KBr disc
nujol mull
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