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2,4-Pentanedione, 3,3-di-2-octenyl-, (E,E)-
SpectraBase Compound ID 58SFqPNdx1W
InChI InChI=1S/C21H36O2/c1-5-7-9-11-13-15-17-21(19(3)22,20(4)23)18-16-14-12-10-8-6-2/h13-16H,5-12,17-18H2,1-4H3/b15-13+,16-14+
InChIKey PBXQNEYOGNGWJN-WXUKJITCSA-N
Mol Weight 320.5 g/mol
Molecular Formula C21H36O2
Exact Mass 320.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mk3Wd5BxI2
Name 2,4-Pentanedione, 3,3-di-2-octenyl-, (E,E)-
Alternate Name(s) 3,3-Di-((E)-2-octen-1-yl)pentane-2,4-dione 3,3-Di[(2E)-2-octenyl]-2,4-pentanedione
CAS Registry Number 80403-74-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O2
InChI InChI=1S/C21H36O2/c1-5-7-9-11-13-15-17-21(19(3)22,20(4)23)18-16-14-12-10-8-6-2/h13-16H,5-12,17-18H2,1-4H3/b15-13+,16-14+
InChIKey PBXQNEYOGNGWJN-WXUKJITCSA-N
Molecular Weight 320.517 g/mol
SMILES C(C(=O)C)(C(=O)C)(C\C=C\CCCCC)C\C=C\CCCCC
SPLASH splash10-0006-9000000000-728a25e8c177dd8b2816
Source of Spectrum F-37-3014-0
Wiley ID 1320588