3,3-Dimethyloctane
Product Name
3,3-Dimethyloctane
CAS4110-44-5
MFC10H22
MW142.28
InChIInChI=1S/C10H22/c1-5-7-8-9-10(3,4)6-2/h5-9H2,1-4H3
InChIKeyDBULLUBYDONGLT-UHFFFAOYSA-N
SmilesCCC(C)(C)CCCCC
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Assign. Shift(ppm)
A 1.30
B 1.21
C 1.206
D 1.15
E 0.886
F 0.806
G 0.789
J(A,E) = 7.15 HZ.
J(C,G) = 7.6 HZ.
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
41.65 416 5
34.23 489 7
33.10 395 3
32.73 268 6
26.80 1000 9
23.82 437 4
22.88 368 2
14.16 337 1
8.43 363 8
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
3,3-Dimethyloctane(4110-44-5)13CNMR Atlas of Related Products