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2-Benzylcyclotetradecane-1,3-dione
SpectraBase Compound ID 86LpOKbx96T
InChI InChI=1S/C21H30O2/c22-20-15-11-6-4-2-1-3-5-7-12-16-21(23)19(20)17-18-13-9-8-10-14-18/h8-10,13-14,19H,1-7,11-12,15-17H2
InChIKey BZPOWCYOJKGPKL-UHFFFAOYSA-N
Mol Weight 314.47 g/mol
Molecular Formula C21H30O2
Exact Mass 314.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqFTu6v1UEi
Name 2-Benzylcyclotetradecane-1,3-dione
Alternate Name(s) 2-Benzyl-1,3-cyclotetradecanedione
CAS Registry Number 94294-15-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O2
InChI InChI=1S/C21H30O2/c22-20-15-11-6-4-2-1-3-5-7-12-16-21(23)19(20)17-18-13-9-8-10-14-18/h8-10,13-14,19H,1-7,11-12,15-17H2
InChIKey BZPOWCYOJKGPKL-UHFFFAOYSA-N
Molecular Weight 314.469 g/mol
SMILES C1(C(=O)CCCCCCCCCCCC1=O)Cc1ccccc1
SPLASH splash10-0a4r-6973000000-f18e1b41fa842cefea7b
Source of Spectrum J-50-456-19
Wiley ID 1315602