4-TERT-BUTYLANISOLE(5396-38-3) IR1
Product Name4-TERT-BUTYLANISOLE
CAS5396-38-3
Molecular FormulaC11H16O
Molecular Weight164.24
InChIInChI=1S/C11H16O/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3
InChIKey MCUPBIBNSTXCPQ-UHFFFAOYSA-N
SmilesC1(C(C)(C)C)=CC=C(OC)C=C1
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Assign. Shift(ppm)
A 7.29 B 6.84 C 3.78 D 1.297Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
157.33 186 1 143.22 186 2 126.13 819 3 113.37 929 4 55.01 395 5 33.97 224 6 31.48 1000 7Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
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Spectral Code: Raman : 4880 A,200 M,liquid
