(E)-4-(Methylthio)chalcone
Product Name
(E)-4-(Methylthio)chalcone
CAS79134-84-2
MFC10H10OS
MW178.25
InChIInChI=1S/C10H10OS/c1-12-8-7-10(11)9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
InChIKeyQWBAQSSFENOOBQ-BQYQJAHWSA-N
SmilesC(C1=CC=CC=C1)(=O)/C=C/SC
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Assign. Shift(ppm)
A 8.00
B 7.76
C 7.60 to 7.42
D 7.51
E 7.25
F 2.497
400MHZ:HSP-41-968
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
190.34 122 1
144.22 459 2
142.37 168 3
138.34 210 4
132.64 444 5
131.40 253 6
128.78 1000 7 *
128.56 932 8 *
128.41 959 9 *
126.03 829 10
121.07 412 11
15.13 382 12
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : nujol mull