TIPS(1323-19-9) IR1

Product NameTIPS

Molecular FormulaC19H25NaO3S

Molecular Weight356.45

InChIInChI=1S/C19H26O3S.Na/c1-11(2)16-7-14-9-18(13(5)6)19(23(20,21)22)10-15(14)8-17(16)12(3)4;/h7-13H,1-6H3,(H,20,21,22);/q;+1/p-1

InChIKey GIRDAVLBQHUXJV-UHFFFAOYSA-M

SmilesC12C=C(C(C(C)C)=CC=1C=C(S([O-])(=O)=O)C(C(C)C)=C2)C(C)C.[Na+]

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KBr disc

nujol mull

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