α-Kessyl hexanoate

• Formula: C₂₁H₃₆O₃
• Molecular weight: 336.5087
• IUPAC Standard InChI: InChI=1S/C21H36O3/c1-6-7-8-9-19(22)23-18-13-21(5)16-11-10-14(2)15(16)12-17(18)20(3,4)24-21/h14-18H,6-13H2,1-5H3/t14-,15?,16?,17+,18+,21-/m1/s1 Copy

  
• IUPAC Standard InChIKey: MNBLJUIWDVQHEP-AYNZCFQGSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
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• Information on this page:
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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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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.

Bos, Woerdenbag, et al., 1997
Bos, R.; Woerdenbag, H.J.; Hendriks, H.; Smit, H.F.; Wikström, H.V.; Scheffer, J.J.C., Composition of the essential oil from roots and rhizomes of Valeriana wallichii DC, Flavour Fragr. J., 1997, 12, 2, 123-131, https://doi.org/10.1002/(SICI)1099-1026(199703)12:2<123::AID-FFJ613>3.0.CO;2-4 . [all data]

Notes

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