13,17,21-Trimethylpentatriacontane

• Formula: C₃₈H₇₈
• Molecular weight: 535.0259
• IUPAC Standard InChI: InChI=1S/C38H78/c1-6-8-10-12-14-16-18-19-21-23-25-27-31-37(4)33-29-35-38(5)34-28-32-36(3)30-26-24-22-20-17-15-13-11-9-7-2/h36-38H,6-35H2,1-5H3 Copy

  
• IUPAC Standard InChIKey: WWWYYEDTJKBCOF-UHFFFAOYSA-N Copy
• CAS Registry Number: 58668-39-6
• Chemical structure:
  This structure is also available as a 2d Mol file
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Normal alkane RI, non-polar column, temperature ramp

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

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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]

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]

Lockey, 1981
Lockey, K.H., Cuticular hydrocarbons of adult Cylindrinotus laevioctostriatus (Goeze) and Phylan gibbus (Fabricius) (Coleoptera: Tenebrionidae), Insect. Biochem., 1981, 11, 5, 549-561, https://doi.org/10.1016/0020-1790(81)90023-8 . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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