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1,3-Cyclododecanedione, 2-octyl-
SpectraBase Compound ID Cj6ec01oZRF
InChI InChI=1S/C20H36O2/c1-2-3-4-5-9-12-15-18-19(21)16-13-10-7-6-8-11-14-17-20(18)22/h18H,2-17H2,1H3
InChIKey LSUCWJIDWJZJFI-UHFFFAOYSA-N
Mol Weight 308.5 g/mol
Molecular Formula C20H36O2
Exact Mass 308.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cz4nagv50Tl
Name 1,3-Cyclododecanedione, 2-octyl-
Alternate Name(s) 2-Octyl-1,3-cyclododecanedione 2-Octylcyclododecane-1,3-dione 2-Octylcyclododecane-1,3-quinone
CAS Registry Number 29550-15-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36O2
InChI InChI=1S/C20H36O2/c1-2-3-4-5-9-12-15-18-19(21)16-13-10-7-6-8-11-14-17-20(18)22/h18H,2-17H2,1H3
InChIKey LSUCWJIDWJZJFI-UHFFFAOYSA-N
Molecular Weight 308.506 g/mol
SMILES C(CCCCCCC)C1C(=O)CCCCCCCCCC1=O
SPLASH splash10-052f-9200000000-cee7d1d392067bea2428
Source of Spectrum D-9-4284-6
Wiley ID 1310258