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3-METHYLSALICYLIC ACID SODIUM SALT(32768-20-0) IR1
Product Name3-METHYLSALICYLIC ACID SODIUM SALT
CAS32768-20-0
Molecular FormulaC8H9NaO3
Molecular Weight176.15
InChIInChI=1S/C8H8O3.Na/c1-5-3-2-4-6(7(5)9)8(10)11;/h2-4,9H,1H3,(H,10,11);/q;+1/p-1
InChIKey ODAXNLPYGWAGTH-UHFFFAOYSA-M
SmilesC1(C=CC=C(C)C=1O)C([O-])=O.[Na+]
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Assign. Shift(ppm)
A 15.81 B 7.595 C 7.064 D 6.546 E 2.112Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
172.75 519 1 160.59 658 2 132.24 874 3 127.73 1000 4 123.75 594 5 119.06 486 6 115.57 874 7 15.59 962 8Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : nujol mull
