MEPHOBARBITAL
Product Name
MEPHOBARBITAL
CAS115-38-8
MFC13H14N2O3
MW246.26
InChIInChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)
InChIKeyALARQZQTBTVLJV-UHFFFAOYSA-N
SmilesC1(=O)N(C)C(=O)C(CC)(C2=CC=CC=C2)C(=O)N1
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Assign. Shift(ppm)
A 11.93
B 7.38
C 7.35
D 7.31
E 3.194
F *1 2.35
G *1 2.32
J 0.859
J(F,G)=-13.2Hz
J(E,J)=J(F,J)=7.2Hz
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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ppm Int. Assign.
170.87 279 1 *
170.28 468 2 *
150.08 388 3
138.48 398 4
128.92 1000 5
128.12 378 6
126.11 955 7
60.33 433 8
29.10 209 9
27.64 179 10
9.60 299 11
Spectral Code: 13C NMR : in DMSO-d6
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Spectral Code: IR : nujol mull
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Spectral Code: Raman : 4880 A,200 M,powder
MEPHOBARBITAL(115-38-8)13CNMR Atlas of Related Products