13,23-Dimethylheptatriacontane

Formula: C₃₉H₈₀
Molecular weight: 549.0525
IUPAC Standard InChI: InChI=1S/C39H80/c1-5-7-9-11-13-15-17-18-20-23-27-31-35-39(4)37-33-29-25-21-24-28-32-36-38(3)34-30-26-22-19-16-14-12-10-8-6-2/h38-39H,5-37H2,1-4H3
IUPAC Standard InChIKey: BDNZFJYVVXMFBV-UHFFFAOYSA-N
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Heptatriacontane, 13,23-dimethyl; 13,21-dimethylheptatriacontane
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	Ultra-1	3758.	Nelson, Adams, et al., 2003	150. C @ 4. min, 4. K/min, 320. C @ 30. min; Column length: 12. m; Column diameter: 0.2 mm
Capillary	Ultra-1	3758.	Nelson, Adams, et al., 2003	150. C @ 4. min, 4. K/min, 320. C @ 30. min; Column length: 12. m; Column diameter: 0.2 mm

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	Ultra-1	3758.	Nelson and Charlet, 2003	He, 4. K/min; Column length: 12.5 m; Column diameter: 0.2 mm; T_start: 150. C; T_end: 320. C
Capillary	DB-1	3759.	Katritzky, Chen, et al., 2000	30. m/0.32 mm/0.25 μm; T_start: 60. C; T_end: 320. C
Capillary	BP-1	3744.	Lockey and Oraha, 1990	12. m/0.22 mm/0.25 μm, Helium, 2. K/min; T_start: 100. C; T_end: 300. C

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Polydimethyl siloxane	3759.	Junkes, Castanho, et al., 2003	Program: not specified

References

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Nelson, Adams, et al., 2003
Nelson, D.R.; Adams, T.S.; Fatland, C.L., Hydrocarbons in the surface wax of eggs and adults of the Colorado potato beetle, Leptinotarsa decemlineata, Comp. Biochem. Physiol. B: Comp. Biochem., 2003, 134, 3, 447-466, https://doi.org/10.1016/S1096-4959(02)00262-2 . [all data]

Nelson and Charlet, 2003
Nelson, D.R.; Charlet, L.D., Cuticular hydrocarbons of the sunflower beetle,Zygogramma exclamationis, Comp. Biochem. Physiol. B: Comp. Biochem., 2003, 135, 2, 273-284, https://doi.org/10.1016/S1096-4959(03)00080-0 . [all data]

Katritzky, Chen, et al., 2000
Katritzky, A.R.; Chen, K.; Maran, U.; Carlson, D.A., QSPR Correlation and predictions of GC retention indexes for methyl-branched hydrocarbons produced by insects, Anal. Chem., 2000, 72, 1, 101-109, https://doi.org/10.1021/ac990800w . [all data]

Lockey and Oraha, 1990
Lockey, K.H.; Oraha, V.S., Cuticular lipids of adult Locusta Migratoria Migratoriodes (R and F), Schstocerca Gregaria (Forskal) (Acrididae) and other orthopteran species - II. Hydrocarbons, Comp. Biochem. Physiol., 1990, 95B, 4, 721-744. [all data]

Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F., Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies, Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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